1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H19N5O2 — CID 48735006

IUPAC1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1nccn1-c1ccccc1CNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C17H19N5O2/c1-12-18-9-10-22(12)15-6-4-3-5-13(15)11-19-17(24)14-7-8-16(23)21(2)20-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,24)
InChIKeyBZIVZWNSKIQTFC-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.41
Rot. Bonds4

About 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 48735006) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID48735006
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1nccn1-c1ccccc1CNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C17H19N5O2/c1-12-18-9-10-22(12)15-6-4-3-5-13(15)11-19-17(24)14-7-8-16(23)21(2)20-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,24)
InChIKeyBZIVZWNSKIQTFC-UHFFFAOYSA-N
XLogP1.41
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575
1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24547280
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
CID 157015631
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47043186
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72936219
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56720584
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28631742
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
3-(azepan-1-ylsulfonyl)-4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 38008845
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 48735006) is 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1nccn1-c1ccccc1CNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is BZIVZWNSKIQTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-18-9-10-22(12)15-6-4-3-5-13(15)11-19-17(24)14-7-8-16(23)21(2)20-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,24).
What are the key properties of 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 48735006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).