N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide

C22H24ClN3O2 — CID 57406121

IUPACN-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)c1
InChIInChI=1S/C22H24ClN3O2/c1-15-6-11-24-18(12-15)20(28)26-22-8-3-7-21(14-22,9-10-22)25-19(27)16-4-2-5-17(23)13-16/h2,4-6,11-13H,3,7-10,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyHDBHXGROMIXENT-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.05
Rot. Bonds4

About N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide

N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide (PubChem CID 57406121) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
PubChem CID57406121
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)c1
InChIInChI=1S/C22H24ClN3O2/c1-15-6-11-24-18(12-15)20(28)26-22-8-3-7-21(14-22,9-10-22)25-19(27)16-4-2-5-17(23)13-16/h2,4-6,11-13H,3,7-10,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyHDBHXGROMIXENT-UHFFFAOYSA-N
XLogP4.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-methyl-N-[5-(pyridine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70496351
2-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrimidine-4-carboxamide
CID 57406485
N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
CID 70497716
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
4-methyl-N-[5-(5-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 141426147
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
3-chloro-N-[(4-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 881307
(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
methyl 2-[3-[(3-chlorobenzoyl)amino]-1-bicyclo[1.1.1]pentanyl]-3-hydroxy-2-(hydroxymethyl)propanoate
CID 162499050
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide (CID 57406121) is N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide is Cc1ccnc(C(=O)NC23CCCC(NC(=O)c4cccc(Cl)c4)(CC2)C3)c1.
What is the InChIKey of N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide?
The InChIKey is HDBHXGROMIXENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-6-11-24-18(12-15)20(28)26-22-8-3-7-21(14-22,9-10-22)25-19(27)16-4-2-5-17(23)13-16/h2,4-6,11-13H,3,7-10,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide?
N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 57406121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).