N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid

C71H88N12O13 — CID 159092719

IUPACN-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid
SMILESNCCCOc1ccccn1.NCCCOc1cccnc1.NCCc1ccc(Oc2cccnc2)cc1.O=C(CCCO)c1cccnc1.O=C(NCCCO)c1cccnc1.O=C(O)CCc1ccccn1.O=C(O)CCc1cccnc1.O=C(O)CCc1ccncc1
InChIInChI=1S/C13H14N2O.C9H12N2O2.C9H11NO2.2C8H12N2O.3C8H9NO2/c14-8-7-11-3-5-12(6-4-11)16-13-2-1-9-15-10-13;12-6-2-5-11-9(13)8-3-1-4-10-7-8;11-6-2-4-9(12)8-3-1-5-10-7-8;9-4-2-6-11-8-3-1-5-10-7-8;9-5-3-7-11-8-4-1-2-6-10-8;10-8(11)2-1-7-3-5-9-6-4-7;10-8(11)4-3-7-2-1-5-9-6-7;10-8(11)5-4-7-3-1-2-6-9-7/h1-6,9-10H,7-8,14H2;1,3-4,7,12H,2,5-6H2,(H,11,13);1,3,5,7,11H,2,4,6H2;1,3,5,7H,2,4,6,9H2;1-2,4,6H,3,5,7,9H2;3-6H,1-2H2,(H,10,11);1-2,5-6H,3-4H2,(H,10,11);1-3,6H,4-5H2,(H,10,11)
InChIKeyKCGSBXIOYJQKCF-UHFFFAOYSA-N
MW1317.56 g/mol
LogP8.52
Rot. Bonds29

About N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid

N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid (PubChem CID 159092719) has the molecular formula C71H88N12O13 and a molecular weight of 1317.56 g/mol. Its IUPAC name is N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound NameN-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid
PubChem CID159092719
Molecular FormulaC71H88N12O13
Molecular Weight1317.56 g/mol
Exact Mass1316.66
IUPAC NameN-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid
SMILESNCCCOc1ccccn1.NCCCOc1cccnc1.NCCc1ccc(Oc2cccnc2)cc1.O=C(CCCO)c1cccnc1.O=C(NCCCO)c1cccnc1.O=C(O)CCc1ccccn1.O=C(O)CCc1cccnc1.O=C(O)CCc1ccncc1
InChIInChI=1S/C13H14N2O.C9H12N2O2.C9H11NO2.2C8H12N2O.3C8H9NO2/c14-8-7-11-3-5-12(6-4-11)16-13-2-1-9-15-10-13;12-6-2-5-11-9(13)8-3-1-4-10-7-8;11-6-2-4-9(12)8-3-1-5-10-7-8;9-4-2-6-11-8-3-1-5-10-7-8;9-5-3-7-11-8-4-1-2-6-10-8;10-8(11)2-1-7-3-5-9-6-4-7;10-8(11)4-3-7-2-1-5-9-6-7;10-8(11)5-4-7-3-1-2-6-9-7/h1-6,9-10H,7-8,14H2;1,3-4,7,12H,2,5-6H2,(H,11,13);1,3,5,7,11H,2,4,6H2;1,3,5,7H,2,4,6,9H2;1-2,4,6H,3,5,7,9H2;3-6H,1-2H2,(H,10,11);1-2,5-6H,3-4H2,(H,10,11);1-3,6H,4-5H2,(H,10,11)
InChIKeyKCGSBXIOYJQKCF-UHFFFAOYSA-N
XLogP8.52
TPSA407.40 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001317.56
LogP ≤ 58.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[6-(2-hydroxyethoxy)-5-methoxy-3-pyridinyl]pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[6-(2-hydroxyethoxy)-5-methoxy-3-pyridinyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;6-(2-hydroxyethoxy)-5-methoxypyridine-3-carboxylic acid;hydrochloride
CID 157605981
4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[6-(2-hydroxyethoxy)-5-methoxy-3-pyridinyl]pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[6-(2-hydroxyethoxy)-5-methoxy-3-pyridinyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;6-(2-hydroxyethoxy)-5-methoxypyridine-3-carboxylic acid;methyl 6-(2-hydroxyethoxy)-5-methoxypyridine-3-carboxylate;hydrochloride
CID 158144079
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carbonyl]amino]propanoate;6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxylic acid;hydrochloride
CID 158899878
2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid
CID 161386007
tert-butyl (2R)-2-[[5-(3-fluorophenyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carbonyl]amino]propanoate;5-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxy]pyridine-3-carboxamide
CID 175995667
3-(5-{[4-(Pyridin-3-yloxy)piperidin-1-yl]carbonyl}pyridin-2-yl)benzoic acid
CID 56738411
3-[4-[2-[5-Methyl-2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazol-4-yl]ethoxy]-2-[(pyridine-2-carbonylamino)methyl]phenyl]propanoic acid
CID 17984369
N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
CID 44633899
(2S)-2-[[4-[2-[(2-benzylpyridine-3-carbonyl)amino]ethoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 66912642
6-[[4-[4-(2-Pyridin-3-yloxyethyl)phenoxy]carbonylpiperazin-1-yl]methyl]pyridine-3-carboxylic acid
CID 69541003
6-[3-[4-[4-(2-Pyridin-3-yloxyethyl)phenoxy]carbonylpiperazin-1-yl]propyl]pyridine-3-carboxylic acid
CID 69541178
6-[[3-[[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]methyl]pyridine-3-carboxylic acid
CID 71256851

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid?
The IUPAC name of N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid (CID 159092719) is N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid?
The canonical SMILES for N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid is NCCCOc1ccccn1.NCCCOc1cccnc1.NCCc1ccc(Oc2cccnc2)cc1.O=C(CCCO)c1cccnc1.O=C(NCCCO)c1cccnc1.O=C(O)CCc1ccccn1.O=C(O)CCc1cccnc1.O=C(O)CCc1ccncc1.
What is the InChIKey of N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid?
The InChIKey is KCGSBXIOYJQKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C9H12N2O2.C9H11NO2.2C8H12N2O.3C8H9NO2/c14-8-7-11-3-5-12(6-4-11)16-13-2-1-9-15-10-13;12-6-2-5-11-9(13)8-3-1-4-10-7-8;11-6-2-4-9(12)8-3-1-5-10-7-8;9-4-2-6-11-8-3-1-5-10-7-8;9-5-3-7-11-8-4-1-2-6-10-8;10-8(11)2-1-7-3-5-9-6-4-7;10-8(11)4-3-7-2-1-5-9-6-7;10-8(11)5-4-7-3-1-2-6-9-7/h1-6,9-10H,7-8,14H2;1,3-4,7,12H,2,5-6H2,(H,11,13);1,3,5,7,11H,2,4,6H2;1,3,5,7H,2,4,6,9H2;1-2,4,6H,3,5,7,9H2;3-6H,1-2H2,(H,10,11);1-2,5-6H,3-4H2,(H,10,11);1-3,6H,4-5H2,(H,10,11).
What are the key properties of N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid?
N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid has a molecular weight of 1317.56 g/mol, XLogP of 8.52, 29 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)pyridine-3-carboxamide;4-hydroxy-1-pyridin-3-ylbutan-1-one;2-(4-pyridin-3-yloxyphenyl)ethanamine;3-pyridin-2-yloxypropan-1-amine;3-pyridin-3-yloxypropan-1-amine;3-pyridin-2-ylpropanoic acid;3-pyridin-3-ylpropanoic acid;3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 159092719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).