N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide

C16H17N3O — CID 119877635

IUPACN-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccc2)c1)C1CCCN1
InChIInChI=1S/C16H17N3O/c20-16(14-7-4-9-17-14)19-13-8-10-18-15(11-13)12-5-2-1-3-6-12/h1-3,5-6,8,10-11,14,17H,4,7,9H2,(H,18,19,20)
InChIKeyCCDXHJLFDCQSSF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.44
Rot. Bonds3

About N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide

N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 119877635) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID119877635
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccnc(-c2ccccc2)c1)C1CCCN1
InChIInChI=1S/C16H17N3O/c20-16(14-7-4-9-17-14)19-13-8-10-18-15(11-13)12-5-2-1-3-6-12/h1-3,5-6,8,10-11,14,17H,4,7,9H2,(H,18,19,20)
InChIKeyCCDXHJLFDCQSSF-UHFFFAOYSA-N
XLogP2.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3,5-diphenylphenyl)pyrrolidine-2-carboxamide
CID 121274963
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119280479
N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 54862032
N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280134
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2R)-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 99777125
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide (CID 119877635) is N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide is O=C(Nc1ccnc(-c2ccccc2)c1)C1CCCN1.
What is the InChIKey of N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is CCDXHJLFDCQSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(14-7-4-9-17-14)19-13-8-10-18-15(11-13)12-5-2-1-3-6-12/h1-3,5-6,8,10-11,14,17H,4,7,9H2,(H,18,19,20).
What are the key properties of N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide?
N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119877635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).