N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide

C22H16ClN5O2 — CID 86297342

IUPACN-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide
SMILESCC(C(=O)Nc1ccc2nc[nH]c2c1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C22H16ClN5O2/c1-13(22(30)27-17-4-5-19-20(10-17)26-12-25-19)28-7-6-14(8-21(28)29)18-9-16(23)3-2-15(18)11-24/h2-10,12-13H,1H3,(H,25,26)(H,27,30)
InChIKeyFYWRBGOWASHFQJ-UHFFFAOYSA-N
MW417.86 g/mol
LogP4.12
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide

N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide (PubChem CID 86297342) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide
PubChem CID86297342
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC NameN-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide
SMILESCC(C(=O)Nc1ccc2nc[nH]c2c1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C22H16ClN5O2/c1-13(22(30)27-17-4-5-19-20(10-17)26-12-25-19)28-7-6-14(8-21(28)29)18-9-16(23)3-2-15(18)11-24/h2-10,12-13H,1H3,(H,25,26)(H,27,30)
InChIKeyFYWRBGOWASHFQJ-UHFFFAOYSA-N
XLogP4.12
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]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 N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide (CID 86297342) is N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide is CC(C(=O)Nc1ccc2nc[nH]c2c1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide?
The InChIKey is FYWRBGOWASHFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c1-13(22(30)27-17-4-5-19-20(10-17)26-12-25-19)28-7-6-14(8-21(28)29)18-9-16(23)3-2-15(18)11-24/h2-10,12-13H,1H3,(H,25,26)(H,27,30).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide?
N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide has a molecular weight of 417.86 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-2-oxo-1-pyridinyl]propanamide is sourced from PubChem (CID 86297342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).