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

C17H19N3O2 — CID 138993640

IUPAC2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-15-6-4-13(5-7-15)16-3-2-12-20(16)17(21)19-14-8-10-18-11-9-14/h4-11,16H,2-3,12H2,1H3,(H,18,19,21)
InChIKeyFLOYGXPJEGIZCV-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.46
Rot. Bonds3

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

2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 138993640) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID138993640
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-15-6-4-13(5-7-15)16-3-2-12-20(16)17(21)19-14-8-10-18-11-9-14/h4-11,16H,2-3,12H2,1H3,(H,18,19,21)
InChIKeyFLOYGXPJEGIZCV-UHFFFAOYSA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131116
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131115
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
2-(4-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 60594965
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71941798

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (CID 138993640) is 2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is FLOYGXPJEGIZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15-6-4-13(5-7-15)16-3-2-12-20(16)17(21)19-14-8-10-18-11-9-14/h4-11,16H,2-3,12H2,1H3,(H,18,19,21).
What are the key properties of 2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138993640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).