N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide

C52H59N7O5 — CID 162032143

IUPACN-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCC2)c2ccccc12.O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1ccc(CO)c2ccccc12
InChIInChI=1S/C27H32N4O2.C25H27N3O3/c1-31(2)18-20-14-15-23(22-12-7-6-11-21(20)22)26(32)30-24-13-8-16-28-25(24)27(33)29-17-19-9-4-3-5-10-19;29-16-18-12-13-21(20-10-5-4-9-19(18)20)24(30)28-22-11-6-14-26-23(22)25(31)27-15-17-7-2-1-3-8-17/h6-8,11-16,19H,3-5,9-10,17-18H2,1-2H3,(H,29,33)(H,30,32);4-6,9-14,17,29H,1-3,7-8,15-16H2,(H,27,31)(H,28,30)
InChIKeyYWDZTXKRIZVTKK-UHFFFAOYSA-N
MW862.09 g/mol
LogP9.15
Rot. Bonds13

About N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide

N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 162032143) has the molecular formula C52H59N7O5 and a molecular weight of 862.09 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID162032143
Molecular FormulaC52H59N7O5
Molecular Weight862.09 g/mol
Exact Mass861.46
IUPAC NameN-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCC2)c2ccccc12.O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1ccc(CO)c2ccccc12
InChIInChI=1S/C27H32N4O2.C25H27N3O3/c1-31(2)18-20-14-15-23(22-12-7-6-11-21(20)22)26(32)30-24-13-8-16-28-25(24)27(33)29-17-19-9-4-3-5-10-19;29-16-18-12-13-21(20-10-5-4-9-19(18)20)24(30)28-22-11-6-14-26-23(22)25(31)27-15-17-7-2-1-3-8-17/h6-8,11-16,19H,3-5,9-10,17-18H2,1-2H3,(H,29,33)(H,30,32);4-6,9-14,17,29H,1-3,7-8,15-16H2,(H,27,31)(H,28,30)
InChIKeyYWDZTXKRIZVTKK-UHFFFAOYSA-N
XLogP9.15
TPSA165.65 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.09
LogP ≤ 59.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(cyclobutylmethyl)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973398
Hydroxylethylamine scaffold 96
CID 6539340
3-(4-Piperidin-4-ylphenyl)-5-(pyrazine-2-carbonylamino)benzoic acid
CID 155549217
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(1S,2S)-2-(isoquinoline-3-carbonylamino)cyclohexyl]heptanediamide
CID 5479483
4-[[2-[4-(Aminomethyl)cyclohexanecarbonyl]-3,3-dimethyl-5-quinolin-6-yl-1,4-dihydroisoquinoline-1-carbonyl]amino]benzoic acid
CID 129012574
N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 134475006
4-[[2-(Oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
CID 58973328
3-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-1-N,4-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 10417010
US10568876, Example 135
CID 118917890
US9828369, Example 11
CID 139269185
4-[[4-[hydroxy-[4-[[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]phenyl]methyl]benzoyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
CID 44234399
N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-phenyl-5-pyridin-4-ylpyridine-3-carboxamide
CID 172434993

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (CID 162032143) is N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is CN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCCC2)c2ccccc12.O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1ccc(CO)c2ccccc12.
What is the InChIKey of N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is YWDZTXKRIZVTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2.C25H27N3O3/c1-31(2)18-20-14-15-23(22-12-7-6-11-21(20)22)26(32)30-24-13-8-16-28-25(24)27(33)29-17-19-9-4-3-5-10-19;29-16-18-12-13-21(20-10-5-4-9-19(18)20)24(30)28-22-11-6-14-26-23(22)25(31)27-15-17-7-2-1-3-8-17/h6-8,11-16,19H,3-5,9-10,17-18H2,1-2H3,(H,29,33)(H,30,32);4-6,9-14,17,29H,1-3,7-8,15-16H2,(H,27,31)(H,28,30).
What are the key properties of N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 862.09 g/mol, XLogP of 9.15, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[[4-[(dimethylamino)methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;N-(cyclohexylmethyl)-3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 162032143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).