(2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide

C19H21ClN4O2 — CID 97278092

IUPAC(2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2ccccn2)c1
InChIInChI=1S/C19H21ClN4O2/c1-21-18(25)13-8-9-14(20)16(12-13)23-19(26)24-11-5-3-7-17(24)15-6-2-4-10-22-15/h2,4,6,8-10,12,17H,3,5,7,11H2,1H3,(H,21,25)(H,23,26)/t17-/m0/s1
InChIKeyOUAVNXHCYNQWOP-KRWDZBQOSA-N
MW372.86 g/mol
LogP3.85
Rot. Bonds3

About (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide

(2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide (PubChem CID 97278092) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
PubChem CID97278092
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name(2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2ccccn2)c1
InChIInChI=1S/C19H21ClN4O2/c1-21-18(25)13-8-9-14(20)16(12-13)23-19(26)24-11-5-3-7-17(24)15-6-2-4-10-22-15/h2,4,6,8-10,12,17H,3,5,7,11H2,1H3,(H,21,25)(H,23,26)/t17-/m0/s1
InChIKeyOUAVNXHCYNQWOP-KRWDZBQOSA-N
XLogP3.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 51125416
(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 97278774
N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 87046974
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97435089
2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60794828
(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076743
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
methyl 3-chloro-4-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]amino]benzoate
CID 97282371

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide (CID 97278092) is (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide is CNC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2ccccn2)c1.
What is the InChIKey of (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
The InChIKey is OUAVNXHCYNQWOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-21-18(25)13-8-9-14(20)16(12-13)23-19(26)24-11-5-3-7-17(24)15-6-2-4-10-22-15/h2,4,6,8-10,12,17H,3,5,7,11H2,1H3,(H,21,25)(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide?
(2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-chloro-5-(methylcarbamoyl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 97278092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).