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

C17H19N3O — CID 138993661

IUPAC2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)Nc1ccncc1
InChIInChI=1S/C17H19N3O/c1-13-5-2-3-6-15(13)16-7-4-12-20(16)17(21)19-14-8-10-18-11-9-14/h2-3,5-6,8-11,16H,4,7,12H2,1H3,(H,18,19,21)
InChIKeyTUXYRZGKVDVAHB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds2

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

2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 138993661) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID138993661
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)Nc1ccncc1
InChIInChI=1S/C17H19N3O/c1-13-5-2-3-6-15(13)16-7-4-12-20(16)17(21)19-14-8-10-18-11-9-14/h2-3,5-6,8-11,16H,4,7,12H2,1H3,(H,18,19,21)
InChIKeyTUXYRZGKVDVAHB-UHFFFAOYSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 47050883
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51963079
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371
(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 94164440
2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 167816908
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993592

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (CID 138993661) is 2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is Cc1ccccc1C1CCCN1C(=O)Nc1ccncc1.
What is the InChIKey of 2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is TUXYRZGKVDVAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-5-2-3-6-15(13)16-7-4-12-20(16)17(21)19-14-8-10-18-11-9-14/h2-3,5-6,8-11,16H,4,7,12H2,1H3,(H,18,19,21).
What are the key properties of 2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138993661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).