N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C19H17N5O2 — CID 134016651

IUPACN-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)Nc3nc4ccccc4[nH]3)CCC2=O)c1
InChIInChI=1S/C19H17N5O2/c1-12-5-4-6-13(11-12)24-17(25)10-9-16(23-24)18(26)22-19-20-14-7-2-3-8-15(14)21-19/h2-8,11H,9-10H2,1H3,(H2,20,21,22,26)
InChIKeyQMABPFFVMCMBAK-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.99
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 134016651) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID134016651
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)Nc3nc4ccccc4[nH]3)CCC2=O)c1
InChIInChI=1S/C19H17N5O2/c1-12-5-4-6-13(11-12)24-17(25)10-9-16(23-24)18(26)22-19-20-14-7-2-3-8-15(14)21-19/h2-8,11H,9-10H2,1H3,(H2,20,21,22,26)
InChIKeyQMABPFFVMCMBAK-UHFFFAOYSA-N
XLogP2.99
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26698462
N-[2-(dimethylcarbamoyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55613221
1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 26955609
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398
N-[4-(difluoromethoxy)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26800780
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30249845
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 135962290
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55415639
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 41252977

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 134016651) is N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)Nc3nc4ccccc4[nH]3)CCC2=O)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is QMABPFFVMCMBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-5-4-6-13(11-12)24-17(25)10-9-16(23-24)18(26)22-19-20-14-7-2-3-8-15(14)21-19/h2-8,11H,9-10H2,1H3,(H2,20,21,22,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 134016651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).