3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

C16H16ClN3O — CID 66462445

IUPAC3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1ccncc1Cl
InChIInChI=1S/C16H16ClN3O/c17-15-11-18-7-6-14(15)16(21)19-12-4-3-5-13(10-12)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,21)
InChIKeyUAPRNBSZAGHIJX-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.59
Rot. Bonds3

About 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (PubChem CID 66462445) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
PubChem CID66462445
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1ccncc1Cl
InChIInChI=1S/C16H16ClN3O/c17-15-11-18-7-6-14(15)16(21)19-12-4-3-5-13(10-12)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,21)
InChIKeyUAPRNBSZAGHIJX-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862
N-(3-piperidin-1-ylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86832440
5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 75453052
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 55877479
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
2-(4-chlorophenyl)-N-(3-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 167899542
3-chloro-N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 66483325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (CID 66462445) is 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is O=C(Nc1cccc(N2CCCC2)c1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The InChIKey is UAPRNBSZAGHIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-15-11-18-7-6-14(15)16(21)19-12-4-3-5-13(10-12)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,21).
What are the key properties of 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 66462445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).