N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide

C16H16ClN3O — CID 110874700

IUPACN-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC1c1ccccn1
InChIInChI=1S/C16H16ClN3O/c17-12-6-8-13(9-7-12)19-16(21)20-11-3-5-15(20)14-4-1-2-10-18-14/h1-2,4,6-10,15H,3,5,11H2,(H,19,21)
InChIKeyDCKBFIANTWBFDF-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.10
Rot. Bonds2

About N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide

N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 110874700) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID110874700
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC1c1ccccn1
InChIInChI=1S/C16H16ClN3O/c17-12-6-8-13(9-7-12)19-16(21)20-11-3-5-15(20)14-4-1-2-10-18-14/h1-2,4,6-10,15H,3,5,11H2,(H,19,21)
InChIKeyDCKBFIANTWBFDF-UHFFFAOYSA-N
XLogP4.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 47001088
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894227
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894228
(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 97278774
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 51125416
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 51855981
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide (CID 110874700) is N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCCC1c1ccccn1.
What is the InChIKey of N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is DCKBFIANTWBFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-12-6-8-13(9-7-12)19-16(21)20-11-3-5-15(20)14-4-1-2-10-18-14/h1-2,4,6-10,15H,3,5,11H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide?
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110874700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).