N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide

C20H24ClN3O — CID 125168048

IUPACN-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccncc1Cl
InChIInChI=1S/C20H24ClN3O/c21-18-14-22-11-10-17(18)20(25)23-15-19(16-8-4-3-5-9-16)24-12-6-1-2-7-13-24/h3-5,8-11,14,19H,1-2,6-7,12-13,15H2,(H,23,25)/t19-/m0/s1
InChIKeyIUXWIQMFSCFAIV-IBGZPJMESA-N
MW357.89 g/mol
LogP4.08
Rot. Bonds5

About N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide (PubChem CID 125168048) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
PubChem CID125168048
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccncc1Cl
InChIInChI=1S/C20H24ClN3O/c21-18-14-22-11-10-17(18)20(25)23-15-19(16-8-4-3-5-9-16)24-12-6-1-2-7-13-24/h3-5,8-11,14,19H,1-2,6-7,12-13,15H2,(H,23,25)/t19-/m0/s1
InChIKeyIUXWIQMFSCFAIV-IBGZPJMESA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-phenylethyl]-3-methylpyridine-4-carboxamide
CID 131940299
3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide
CID 99973037
2-chloro-4-fluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 26007854
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide (CID 125168048) is N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide is O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccncc1Cl.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide?
The InChIKey is IUXWIQMFSCFAIV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-18-14-22-11-10-17(18)20(25)23-15-19(16-8-4-3-5-9-16)24-12-6-1-2-7-13-24/h3-5,8-11,14,19H,1-2,6-7,12-13,15H2,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide?
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 125168048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).