N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide

C16H16ClN3O — CID 110874701

IUPACN-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCC1c1ccccn1
InChIInChI=1S/C16H16ClN3O/c17-12-5-3-6-13(11-12)19-16(21)20-10-4-8-15(20)14-7-1-2-9-18-14/h1-3,5-7,9,11,15H,4,8,10H2,(H,19,21)
InChIKeyYEHCYVIBTQEQHQ-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.10
Rot. Bonds2

About N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide

N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 110874701) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID110874701
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCC1c1ccccn1
InChIInChI=1S/C16H16ClN3O/c17-12-5-3-6-13(11-12)19-16(21)20-10-4-8-15(20)14-7-1-2-9-18-14/h1-3,5-7,9,11,15H,4,8,10H2,(H,19,21)
InChIKeyYEHCYVIBTQEQHQ-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-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073
(2S)-N-(3-chlorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636964
(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070304
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 97435089
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 51125416
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide (CID 110874701) is N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCCC1c1ccccn1.
What is the InChIKey of N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is YEHCYVIBTQEQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-12-5-3-6-13(11-12)19-16(21)20-10-4-8-15(20)14-7-1-2-9-18-14/h1-3,5-7,9,11,15H,4,8,10H2,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide?
N-(3-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-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110874701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).