6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide

C28H38N4O4 — CID 67402803

IUPAC6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide
SMILESCCCOCCCNC(=O)c1ccc(N2[C@@H]3CC[C@H]2CC(NC(=O)c2cccc(OC)c2C)C3)nc1
InChIInChI=1S/C28H38N4O4/c1-4-14-36-15-6-13-29-27(33)20-9-12-26(30-18-20)32-22-10-11-23(32)17-21(16-22)31-28(34)24-7-5-8-25(35-3)19(24)2/h5,7-9,12,18,21-23H,4,6,10-11,13-17H2,1-3H3,(H,29,33)(H,31,34)/t21?,22-,23+
InChIKeyOKRMFGLBAYAMPM-NOTZXAQLSA-N
MW494.64 g/mol
LogP3.87
Rot. Bonds11

About 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide

6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide (PubChem CID 67402803) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide
PubChem CID67402803
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide
SMILESCCCOCCCNC(=O)c1ccc(N2[C@@H]3CC[C@H]2CC(NC(=O)c2cccc(OC)c2C)C3)nc1
InChIInChI=1S/C28H38N4O4/c1-4-14-36-15-6-13-29-27(33)20-9-12-26(30-18-20)32-22-10-11-23(32)17-21(16-22)31-28(34)24-7-5-8-25(35-3)19(24)2/h5,7-9,12,18,21-23H,4,6,10-11,13-17H2,1-3H3,(H,29,33)(H,31,34)/t21?,22-,23+
InChIKeyOKRMFGLBAYAMPM-NOTZXAQLSA-N
XLogP3.87
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(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-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 67403403
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 67404604
6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 67404428
(2S)-2-[[6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 67403838
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-[3-[[3-methoxy-2-[3-(propan-2-ylamino)propyl]benzoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67404556
3-methoxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 18988176

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 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) is 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide is CCCOCCCNC(=O)c1ccc(N2[C@@H]3CC[C@H]2CC(NC(=O)c2cccc(OC)c2C)C3)nc1.
What is the InChIKey of 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide?
The InChIKey is OKRMFGLBAYAMPM-NOTZXAQLSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-4-14-36-15-6-13-29-27(33)20-9-12-26(30-18-20)32-22-10-11-23(32)17-21(16-22)31-28(34)24-7-5-8-25(35-3)19(24)2/h5,7-9,12,18,21-23H,4,6,10-11,13-17H2,1-3H3,(H,29,33)(H,31,34)/t21?,22-,23+.
What are the key properties of 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide?
6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 3.87, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,5S)-3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-propoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 67402803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).