4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide

C17H19N3O — CID 133471310

IUPAC4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CC(c2ccccc2)CN1c1ccncc1C(N)=O
InChIInChI=1S/C17H19N3O/c1-12-9-14(13-5-3-2-4-6-13)11-20(12)16-7-8-19-10-15(16)17(18)21/h2-8,10,12,14H,9,11H2,1H3,(H2,18,21)
InChIKeyZPIALZRKHKJYGH-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds3

About 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide

4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 133471310) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID133471310
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CC(c2ccccc2)CN1c1ccncc1C(N)=O
InChIInChI=1S/C17H19N3O/c1-12-9-14(13-5-3-2-4-6-13)11-20(12)16-7-8-19-10-15(16)17(18)21/h2-8,10,12,14H,9,11H2,1H3,(H2,18,21)
InChIKeyZPIALZRKHKJYGH-UHFFFAOYSA-N
XLogP2.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 133471310) is 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CC(c2ccccc2)CN1c1ccncc1C(N)=O.
What is the InChIKey of 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZPIALZRKHKJYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-9-14(13-5-3-2-4-6-13)11-20(12)16-7-8-19-10-15(16)17(18)21/h2-8,10,12,14H,9,11H2,1H3,(H2,18,21).
What are the key properties of 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133471310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).