(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide

C19H22ClN3O — CID 90654575

IUPAC(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H22ClN3O/c20-17-8-6-15(7-9-17)10-12-22-19(24)16-4-3-13-23(14-16)18-5-1-2-11-21-18/h1-2,5-9,11,16H,3-4,10,12-14H2,(H,22,24)/t16-/m1/s1
InChIKeyPYLYEXHQIHHDKD-MRXNPFEDSA-N
MW343.86 g/mol
LogP3.31
Rot. Bonds5

About (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide

(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 90654575) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID90654575
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H22ClN3O/c20-17-8-6-15(7-9-17)10-12-22-19(24)16-4-3-13-23(14-16)18-5-1-2-11-21-18/h1-2,5-9,11,16H,3-4,10,12-14H2,(H,22,24)/t16-/m1/s1
InChIKeyPYLYEXHQIHHDKD-MRXNPFEDSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
6-amino-N-(2,4-dichlorobenzyl)nicotinamide
CID 45487830
(S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
CID 44592137
2-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
CID 669846
2-(2-chloro-6-fluorophenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3158234
N-[2-[4-(5-chloropyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788942
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
2,2-dichloro-N-(5-chloro-2-pyridinyl)-3-phenylcyclopropanecarboxamide
CID 3120148
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 44527525

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide (CID 90654575) is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is PYLYEXHQIHHDKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-8-6-15(7-9-17)10-12-22-19(24)16-4-3-13-23(14-16)18-5-1-2-11-21-18/h1-2,5-9,11,16H,3-4,10,12-14H2,(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 90654575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).