N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide

C22H25N3O2 — CID 70497716

IUPACN-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
SMILESCc1cccc(C(=O)NC23CCCC(NC(=O)c4cccnc4)(CC2)C3)c1
InChIInChI=1S/C22H25N3O2/c1-16-5-2-6-17(13-16)19(26)24-21-8-4-9-22(15-21,11-10-21)25-20(27)18-7-3-12-23-14-18/h2-3,5-7,12-14H,4,8-11,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyDFQRBWHAAXHFPF-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.40
Rot. Bonds4

About N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide

N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide (PubChem CID 70497716) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
PubChem CID70497716
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
SMILESCc1cccc(C(=O)NC23CCCC(NC(=O)c4cccnc4)(CC2)C3)c1
InChIInChI=1S/C22H25N3O2/c1-16-5-2-6-17(13-16)19(26)24-21-8-4-9-22(15-21,11-10-21)25-20(27)18-7-3-12-23-14-18/h2-3,5-7,12-14H,4,8-11,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyDFQRBWHAAXHFPF-UHFFFAOYSA-N
XLogP3.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497797
N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide
CID 57406298
2-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrimidine-4-carboxamide
CID 57406485
(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide
CID 70498375
6-methyl-N-[5-[(5-methylpyridine-3-carbonyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70498464
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
CID 57406121
3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide
CID 147821250
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide
CID 71510461
6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 147325250
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide (CID 70497716) is N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide is Cc1cccc(C(=O)NC23CCCC(NC(=O)c4cccnc4)(CC2)C3)c1.
What is the InChIKey of N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide?
The InChIKey is DFQRBWHAAXHFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-5-2-6-17(13-16)19(26)24-21-8-4-9-22(15-21,11-10-21)25-20(27)18-7-3-12-23-14-18/h2-3,5-7,12-14H,4,8-11,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide?
N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide is sourced from PubChem (CID 70497716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).