N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide

C17H17N3O2 — CID 25049788

IUPACN-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccncc1
InChIInChI=1S/C17H17N3O2/c21-16(13-6-8-18-9-7-13)19-15-5-3-4-14(12-15)17(22)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyGJLJCCBPANFBME-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.57
Rot. Bonds3

About N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide

N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide (PubChem CID 25049788) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
PubChem CID25049788
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccncc1
InChIInChI=1S/C17H17N3O2/c21-16(13-6-8-18-9-7-13)19-15-5-3-4-14(12-15)17(22)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyGJLJCCBPANFBME-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55633554
N-[3-(azepane-1-carbonyl)phenyl]-4-nitrobenzamide
CID 26159233
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248
2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
CID 86864818
2-fluoro-6-hydroxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 99619341

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide (CID 25049788) is N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccncc1.
What is the InChIKey of N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide?
The InChIKey is GJLJCCBPANFBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(13-6-8-18-9-7-13)19-15-5-3-4-14(12-15)17(22)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21).
What are the key properties of N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide?
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 25049788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).