N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

C16H17N3O — CID 756105

IUPACN-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cccnc1
InChIInChI=1S/C16H17N3O/c20-16(13-6-5-9-17-12-13)18-14-7-1-2-8-15(14)19-10-3-4-11-19/h1-2,5-9,12H,3-4,10-11H2,(H,18,20)
InChIKeyMKWFEYASOAXCTM-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.93
Rot. Bonds3

About N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 756105) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID756105
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cccnc1
InChIInChI=1S/C16H17N3O/c20-16(13-6-5-9-17-12-13)18-14-7-1-2-8-15(14)19-10-3-4-11-19/h1-2,5-9,12H,3-4,10-11H2,(H,18,20)
InChIKeyMKWFEYASOAXCTM-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (CID 756105) is N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1N1CCCC1)c1cccnc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is MKWFEYASOAXCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(13-6-5-9-17-12-13)18-14-7-1-2-8-15(14)19-10-3-4-11-19/h1-2,5-9,12H,3-4,10-11H2,(H,18,20).
What are the key properties of N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 756105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).