N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide

C137H130N18O15 — CID 157242374

IUPACN-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide
SMILESCN(C)C(=O)c1cc2ccccc2cn1.CN(OCc1ccccc1)C(=O)c1cc2ccccc2cn1.Cc1cccc(-c2ccc(C(=O)N(O)Cc3ccccc3)nc2)c1.O=C(NOCc1ccccc1)c1cc2ccccc2cn1.O=C(c1cc(N2CCCCC2)ccn1)N(O)Cc1ccccc1.O=C(c1cc2ccccc2cn1)N(O)CCc1ccccc1.O=C(c1cc2ccccc2cn1)N(O)Cc1ccccc1.O=C(c1ccc(N2CCCC2)cn1)N(O)Cc1ccccc1
InChIInChI=1S/C20H18N2O2.C18H21N3O2.2C18H16N2O2.C17H19N3O2.2C17H14N2O2.C12H12N2O/c1-15-6-5-9-17(12-15)18-10-11-19(21-13-18)20(23)22(24)14-16-7-3-2-4-8-16;22-18(21(23)14-15-7-3-1-4-8-15)17-13-16(9-10-19-17)20-11-5-2-6-12-20;1-20(22-13-14-7-3-2-4-8-14)18(21)17-11-15-9-5-6-10-16(15)12-19-17;21-18(20(22)11-10-14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)13-19-17;21-17(20(22)13-14-6-2-1-3-7-14)16-9-8-15(12-18-16)19-10-4-5-11-19;20-17(19-21-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;20-17(19(21)12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-14(2)12(15)11-7-9-5-3-4-6-10(9)8-13-11/h2-13,24H,14H2,1H3;1,3-4,7-10,13,23H,2,5-6,11-12,14H2;2-12H,13H2,1H3;1-9,12-13,22H,10-11H2;1-3,6-9,12,22H,4-5,10-11,13H2;1-11H,12H2,(H,19,20);1-11,21H,12H2;3-8H,1-2H3
InChIKeyAVIYWLCZSBNKJA-UHFFFAOYSA-N
MW2268.66 g/mol
LogP24.95
Rot. Bonds28

About N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide

N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide (PubChem CID 157242374) has the molecular formula C137H130N18O15 and a molecular weight of 2268.66 g/mol. Its IUPAC name is N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide
PubChem CID157242374
Molecular FormulaC137H130N18O15
Molecular Weight2268.66 g/mol
Exact Mass2267.00
IUPAC NameN-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide
SMILESCN(C)C(=O)c1cc2ccccc2cn1.CN(OCc1ccccc1)C(=O)c1cc2ccccc2cn1.Cc1cccc(-c2ccc(C(=O)N(O)Cc3ccccc3)nc2)c1.O=C(NOCc1ccccc1)c1cc2ccccc2cn1.O=C(c1cc(N2CCCCC2)ccn1)N(O)Cc1ccccc1.O=C(c1cc2ccccc2cn1)N(O)CCc1ccccc1.O=C(c1cc2ccccc2cn1)N(O)Cc1ccccc1.O=C(c1ccc(N2CCCC2)cn1)N(O)Cc1ccccc1
InChIInChI=1S/C20H18N2O2.C18H21N3O2.2C18H16N2O2.C17H19N3O2.2C17H14N2O2.C12H12N2O/c1-15-6-5-9-17(12-15)18-10-11-19(21-13-18)20(23)22(24)14-16-7-3-2-4-8-16;22-18(21(23)14-15-7-3-1-4-8-15)17-13-16(9-10-19-17)20-11-5-2-6-12-20;1-20(22-13-14-7-3-2-4-8-14)18(21)17-11-15-9-5-6-10-16(15)12-19-17;21-18(20(22)11-10-14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)13-19-17;21-17(20(22)13-14-6-2-1-3-7-14)16-9-8-15(12-18-16)19-10-4-5-11-19;20-17(19-21-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;20-17(19(21)12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-14(2)12(15)11-7-9-5-3-4-6-10(9)8-13-11/h2-13,24H,14H2,1H3;1,3-4,7-10,13,23H,2,5-6,11-12,14H2;2-12H,13H2,1H3;1-9,12-13,22H,10-11H2;1-3,6-9,12,22H,4-5,10-11,13H2;1-11H,12H2,(H,19,20);1-11,21H,12H2;3-8H,1-2H3
InChIKeyAVIYWLCZSBNKJA-UHFFFAOYSA-N
XLogP24.95
TPSA400.48 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002268.66
LogP ≤ 524.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide with MolForge

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Related Compounds

Iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)
CID 173033262
4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride
CID 158038501
6-(3-carbamoylphenyl)-3-methyl-N-phenylpyrazine-2-carboxamide;6-[2-(hydroxymethyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;methane;3-methyl-N-phenyl-6-[3-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-(4-prop-1-en-2-ylphenyl)pyrazine-2-carboxamide;molecular hydrogen
CID 158112989
N-benzyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-benzyl-N-phenylmethoxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-ethoxy-N-methyl-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-ethoxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-methyl-5-phenyl-N-phenylmethoxypyridine-2-carboxamide;N-phenylmethoxy-4-piperidin-1-ylpyridine-2-carboxamide;N-phenylmethoxy-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 159082717
N-benzyl-4-(4-chlorophenyl)-N-hydroxypyridine-2-carboxamide;N-benzyl-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-hydroxypyridine-2-carboxamide;4-(4-chlorophenyl)-N-methylpyridine-2-carboxamide;N-hydroxy-N-(3-phenylpropyl)isoquinoline-3-carboxamide;N-hydroxy-N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide;N-methyl-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 159101022
O-tert-butylhydroxylamine;bis(N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide);isoquinoline-3-carboxylic acid;N-[(2-methylpropan-2-yl)oxy]isoquinoline-3-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 160409554
N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,6-dimethyl-N-phenylmethoxypyridine-2-carboxamide;N-ethoxy-N,6-dimethylpyridine-2-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide
CID 160718729
O-tert-butylhydroxylamine;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;isoquinoline-3-carboxylic acid;N-[(2-methylpropan-2-yl)oxy]isoquinoline-3-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 160740248
Iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)
CID 173033289
7,18-Bis[5-(2,6-dipyridin-2-yl-4-pyridinyl)pentoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 102175309

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide (CID 157242374) is N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide is CN(C)C(=O)c1cc2ccccc2cn1.CN(OCc1ccccc1)C(=O)c1cc2ccccc2cn1.Cc1cccc(-c2ccc(C(=O)N(O)Cc3ccccc3)nc2)c1.O=C(NOCc1ccccc1)c1cc2ccccc2cn1.O=C(c1cc(N2CCCCC2)ccn1)N(O)Cc1ccccc1.O=C(c1cc2ccccc2cn1)N(O)CCc1ccccc1.O=C(c1cc2ccccc2cn1)N(O)Cc1ccccc1.O=C(c1ccc(N2CCCC2)cn1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide?
The InChIKey is AVIYWLCZSBNKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2.C18H21N3O2.2C18H16N2O2.C17H19N3O2.2C17H14N2O2.C12H12N2O/c1-15-6-5-9-17(12-15)18-10-11-19(21-13-18)20(23)22(24)14-16-7-3-2-4-8-16;22-18(21(23)14-15-7-3-1-4-8-15)17-13-16(9-10-19-17)20-11-5-2-6-12-20;1-20(22-13-14-7-3-2-4-8-14)18(21)17-11-15-9-5-6-10-16(15)12-19-17;21-18(20(22)11-10-14-6-2-1-3-7-14)17-12-15-8-4-5-9-16(15)13-19-17;21-17(20(22)13-14-6-2-1-3-7-14)16-9-8-15(12-18-16)19-10-4-5-11-19;20-17(19-21-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;20-17(19(21)12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-14(2)12(15)11-7-9-5-3-4-6-10(9)8-13-11/h2-13,24H,14H2,1H3;1,3-4,7-10,13,23H,2,5-6,11-12,14H2;2-12H,13H2,1H3;1-9,12-13,22H,10-11H2;1-3,6-9,12,22H,4-5,10-11,13H2;1-11H,12H2,(H,19,20);1-11,21H,12H2;3-8H,1-2H3.
What are the key properties of N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide?
N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide has a molecular weight of 2268.66 g/mol, XLogP of 24.95, 28 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide is sourced from PubChem (CID 157242374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).