3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide

C25H22FN5O2 — CID 52661400

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1
InChIInChI=1S/C25H22FN5O2/c1-14-18(15(2)28-25(33)19(14)13-27)8-10-24(32)29-17-7-9-21-22(12-17)31-23(30-21)11-16-5-3-4-6-20(16)26/h3-7,9,12H,8,10-11H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)
InChIKeyQOCSOTQWNJSHBR-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.04
Rot. Bonds6

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide (PubChem CID 52661400) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
PubChem CID52661400
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1
InChIInChI=1S/C25H22FN5O2/c1-14-18(15(2)28-25(33)19(14)13-27)8-10-24(32)29-17-7-9-21-22(12-17)31-23(30-21)11-16-5-3-4-6-20(16)26/h3-7,9,12H,8,10-11H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)
InChIKeyQOCSOTQWNJSHBR-UHFFFAOYSA-N
XLogP4.04
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide (CID 52661400) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide?
The InChIKey is QOCSOTQWNJSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-14-18(15(2)28-25(33)19(14)13-27)8-10-24(32)29-17-7-9-21-22(12-17)31-23(30-21)11-16-5-3-4-6-20(16)26/h3-7,9,12H,8,10-11H2,1-2H3,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide has a molecular weight of 443.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide is sourced from PubChem (CID 52661400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).