3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide

C17H19N3O2 — CID 51104059

IUPAC3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)Nc3ccncc3)C2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-16-4-2-13(3-5-16)14-8-11-20(12-14)17(21)19-15-6-9-18-10-7-15/h2-7,9-10,14H,8,11-12H2,1H3,(H,18,19,21)
InChIKeyGALMVZCMVZDRPB-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.11
Rot. Bonds3

About 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide

3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 51104059) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID51104059
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)Nc3ccncc3)C2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-16-4-2-13(3-5-16)14-8-11-20(12-14)17(21)19-15-6-9-18-10-7-15/h2-7,9-10,14H,8,11-12H2,1H3,(H,18,19,21)
InChIKeyGALMVZCMVZDRPB-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124516055
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 122243074
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86876553
1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
N-[3-[[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111731026

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide (CID 51104059) is 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is COc1ccc(C2CCN(C(=O)Nc3ccncc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is GALMVZCMVZDRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-16-4-2-13(3-5-16)14-8-11-20(12-14)17(21)19-15-6-9-18-10-7-15/h2-7,9-10,14H,8,11-12H2,1H3,(H,18,19,21).
What are the key properties of 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide?
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51104059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).