N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide

C26H34N4O4 — CID 70906625

IUPACN-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(C(=O)NC2CC3CCCN(c4ccc(C(=O)NC[C@H](C)O)cn4)C3C2)c1C
InChIInChI=1S/C26H34N4O4/c1-16(31)14-28-25(32)19-9-10-24(27-15-19)30-11-5-6-18-12-20(13-22(18)30)29-26(33)21-7-4-8-23(34-3)17(21)2/h4,7-10,15-16,18,20,22,31H,5-6,11-14H2,1-3H3,(H,28,32)(H,29,33)/t16-,18?,20?,22?/m0/s1
InChIKeyQNYRGEAGMYZOTK-QCUJIDDRSA-N
MW466.58 g/mol
LogP2.69
Rot. Bonds7

About N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide

N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide (PubChem CID 70906625) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide
PubChem CID70906625
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(C(=O)NC2CC3CCCN(c4ccc(C(=O)NC[C@H](C)O)cn4)C3C2)c1C
InChIInChI=1S/C26H34N4O4/c1-16(31)14-28-25(32)19-9-10-24(27-15-19)30-11-5-6-18-12-20(13-22(18)30)29-26(33)21-7-4-8-23(34-3)17(21)2/h4,7-10,15-16,18,20,22,31H,5-6,11-14H2,1-3H3,(H,28,32)(H,29,33)/t16-,18?,20?,22?/m0/s1
InChIKeyQNYRGEAGMYZOTK-QCUJIDDRSA-N
XLogP2.69
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide
CID 70906392
N-[1-(2-fluoro-4-piperidin-4-ylphenyl)ethyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide
CID 71019698
N-[(4-fluorophenyl)methyl]-6-[3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 25271239
N-benzyl-6-[6-[(7-methyl-1-benzofuran-6-carbonyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide
CID 70906215
N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide
CID 71019858
N-[(4-chlorophenyl)methyl]-6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 67404042
N-[(2-chlorophenyl)methyl]-6-[3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 25268099
N-[(2,4-dimethoxyphenyl)methyl]-6-[3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 25269881
N-[(3-fluorophenyl)methyl]-6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 67402728
6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 67402803
acetic acid;6-[3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-[[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]methyl]pyridine-3-carboxamide
CID 67405046
6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 67403403

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide (CID 70906625) is N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide is COc1cccc(C(=O)NC2CC3CCCN(c4ccc(C(=O)NC[C@H](C)O)cn4)C3C2)c1C.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide?
The InChIKey is QNYRGEAGMYZOTK-QCUJIDDRSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-16(31)14-28-25(32)19-9-10-24(27-15-19)30-11-5-6-18-12-20(13-22(18)30)29-26(33)21-7-4-8-23(34-3)17(21)2/h4,7-10,15-16,18,20,22,31H,5-6,11-14H2,1-3H3,(H,28,32)(H,29,33)/t16-,18?,20?,22?/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide?
N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-6-[6-[(3-methoxy-2-methylbenzoyl)amino]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70906625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).