2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide

C24H24N6O2 — CID 126936608

IUPAC2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCC(n4nc(-c5ccncc5)ccc4=O)CC3)cc2[nH]1
InChIInChI=1S/C24H24N6O2/c1-15-26-21-7-2-17(14-22(21)27-15)24(32)28-18-3-5-19(6-4-18)30-23(31)9-8-20(29-30)16-10-12-25-13-11-16/h2,7-14,18-19H,3-6H2,1H3,(H,26,27)(H,28,32)
InChIKeyKSRFVHYJQJUWGY-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.40
Rot. Bonds4

About 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide

2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide (PubChem CID 126936608) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
PubChem CID126936608
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCC(n4nc(-c5ccncc5)ccc4=O)CC3)cc2[nH]1
InChIInChI=1S/C24H24N6O2/c1-15-26-21-7-2-17(14-22(21)27-15)24(32)28-18-3-5-19(6-4-18)30-23(31)9-8-20(29-30)16-10-12-25-13-11-16/h2,7-14,18-19H,3-6H2,1H3,(H,26,27)(H,28,32)
InChIKeyKSRFVHYJQJUWGY-UHFFFAOYSA-N
XLogP3.40
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 126936529
5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
CID 126936613
N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 115272852
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126934957
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-6-carboxamide
CID 126934963
2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936839
2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 126919987
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1H-indole-3-carboxamide
CID 126936213
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126936220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide (CID 126936608) is 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NC3CCC(n4nc(-c5ccncc5)ccc4=O)CC3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KSRFVHYJQJUWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-26-21-7-2-17(14-22(21)27-15)24(32)28-18-3-5-19(6-4-18)30-23(31)9-8-20(29-30)16-10-12-25-13-11-16/h2,7-14,18-19H,3-6H2,1H3,(H,26,27)(H,28,32).
What are the key properties of 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 126936608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).