2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide

C26H36N4O2 — CID 134202911

IUPAC2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(CN2CCC[C@H]2C)ccc1-c1cnc(N)c(C(=O)NC2CCC(C)(O)CC2)c1
InChIInChI=1S/C26H36N4O2/c1-17-13-19(16-30-12-4-5-18(30)2)6-7-22(17)20-14-23(24(27)28-15-20)25(31)29-21-8-10-26(3,32)11-9-21/h6-7,13-15,18,21,32H,4-5,8-12,16H2,1-3H3,(H2,27,28)(H,29,31)/t18-,21?,26?/m1/s1
InChIKeyDYPKOAOCIPJRSB-RLKFFWBLSA-N
MW436.60 g/mol
LogP4.05
Rot. Bonds5

About 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide

2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 134202911) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
PubChem CID134202911
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(CN2CCC[C@H]2C)ccc1-c1cnc(N)c(C(=O)NC2CCC(C)(O)CC2)c1
InChIInChI=1S/C26H36N4O2/c1-17-13-19(16-30-12-4-5-18(30)2)6-7-22(17)20-14-23(24(27)28-15-20)25(31)29-21-8-10-26(3,32)11-9-21/h6-7,13-15,18,21,32H,4-5,8-12,16H2,1-3H3,(H2,27,28)(H,29,31)/t18-,21?,26?/m1/s1
InChIKeyDYPKOAOCIPJRSB-RLKFFWBLSA-N
XLogP4.05
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 174338467
5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine
CID 134202982
2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 175443441
2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide
CID 134202894
N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 90291509
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628902
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
2-amino-N-[(3R)-1-(3-methyl-4-phenylbenzoyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326268
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 126644185
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol
CID 145269463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide (CID 134202911) is 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide is Cc1cc(CN2CCC[C@H]2C)ccc1-c1cnc(N)c(C(=O)NC2CCC(C)(O)CC2)c1.
What is the InChIKey of 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is DYPKOAOCIPJRSB-RLKFFWBLSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-17-13-19(16-30-12-4-5-18(30)2)6-7-22(17)20-14-23(24(27)28-15-20)25(31)29-21-8-10-26(3,32)11-9-21/h6-7,13-15,18,21,32H,4-5,8-12,16H2,1-3H3,(H2,27,28)(H,29,31)/t18-,21?,26?/m1/s1.
What are the key properties of 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 134202911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).