5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile

C17H15FN4O — CID 133404555

IUPAC5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
SMILESN#Cc1cc(F)ccc1NC1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C17H15FN4O/c18-13-4-5-15(12(9-13)10-19)21-14-6-8-22(11-14)17(23)16-3-1-2-7-20-16/h1-5,7,9,14,21H,6,8,11H2
InChIKeyGBWMPRKGTVOPQN-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.42
Rot. Bonds3

About 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile

5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile (PubChem CID 133404555) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
PubChem CID133404555
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
SMILESN#Cc1cc(F)ccc1NC1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C17H15FN4O/c18-13-4-5-15(12(9-13)10-19)21-14-6-8-22(11-14)17(23)16-3-1-2-7-20-16/h1-5,7,9,14,21H,6,8,11H2
InChIKeyGBWMPRKGTVOPQN-UHFFFAOYSA-N
XLogP2.42
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 75433556
[3-(4-iodo-2-nitroanilino)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404565
6-nitro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
CID 133404584
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367516
[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97016537
pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
5-fluoro-2-[(1-methylazepan-4-yl)amino]benzonitrile
CID 82015465
[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97138669
[3-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404612

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile (CID 133404555) is 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile is N#Cc1cc(F)ccc1NC1CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile?
The InChIKey is GBWMPRKGTVOPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-13-4-5-15(12(9-13)10-19)21-14-6-8-22(11-14)17(23)16-3-1-2-7-20-16/h1-5,7,9,14,21H,6,8,11H2.
What are the key properties of 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile?
5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile has a molecular weight of 310.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile is sourced from PubChem (CID 133404555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).