1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide

C16H17N5O2 — CID 4879642

IUPAC1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
SMILESCCCn1c(NC(=O)c2ccc(=O)n(C)n2)nc2ccccc21
InChIInChI=1S/C16H17N5O2/c1-3-10-21-13-7-5-4-6-11(13)17-16(21)18-15(23)12-8-9-14(22)20(2)19-12/h4-9H,3,10H2,1-2H3,(H,17,18,23)
InChIKeyJKNGHZUDAXOIJZ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.79
Rot. Bonds4

About 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide (PubChem CID 4879642) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
PubChem CID4879642
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
SMILESCCCn1c(NC(=O)c2ccc(=O)n(C)n2)nc2ccccc21
InChIInChI=1S/C16H17N5O2/c1-3-10-21-13-7-5-4-6-11(13)17-16(21)18-15(23)12-8-9-14(22)20(2)19-12/h4-9H,3,10H2,1-2H3,(H,17,18,23)
InChIKeyJKNGHZUDAXOIJZ-UHFFFAOYSA-N
XLogP1.79
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide 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

1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
CID 167887433
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 7408843
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
1-methyl-6-oxo-N-quinolin-2-ylpyridazine-3-carboxamide
CID 51193512

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide (CID 4879642) is 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide is CCCn1c(NC(=O)c2ccc(=O)n(C)n2)nc2ccccc21.
What is the InChIKey of 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is JKNGHZUDAXOIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-10-21-13-7-5-4-6-11(13)17-16(21)18-15(23)12-8-9-14(22)20(2)19-12/h4-9H,3,10H2,1-2H3,(H,17,18,23).
What are the key properties of 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 4879642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).