2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile

C17H16N4O — CID 109225681

IUPAC2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H16N4O/c18-10-13-5-1-2-6-16(13)20-15-9-14(11-19-12-15)17(22)21-7-3-4-8-21/h1-2,5-6,9,11-12,20H,3-4,7-8H2
InChIKeyUDYOTVNQWNTSQG-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.93
Rot. Bonds3

About 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile

2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile (PubChem CID 109225681) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
PubChem CID109225681
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H16N4O/c18-10-13-5-1-2-6-16(13)20-15-9-14(11-19-12-15)17(22)21-7-3-4-8-21/h1-2,5-6,9,11-12,20H,3-4,7-8H2
InChIKeyUDYOTVNQWNTSQG-UHFFFAOYSA-N
XLogP2.93
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271
azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone
CID 109241297
5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide
CID 109223742
[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225589
5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109104825
[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656
azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109241222
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
CID 109245887
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
1-[4-[5-(2-propan-2-ylanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231087

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile (CID 109225681) is 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile is N#Cc1ccccc1Nc1cncc(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The InChIKey is UDYOTVNQWNTSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-10-13-5-1-2-6-16(13)20-15-9-14(11-19-12-15)17(22)21-7-3-4-8-21/h1-2,5-6,9,11-12,20H,3-4,7-8H2.
What are the key properties of 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109225681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).