1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide

C19H24ClN3O2 — CID 46515956

IUPAC1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)CCC(C)C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O2/c1-12(2)5-6-13(3)21-19(25)18-17(24)11-14(4)23(22-18)16-9-7-15(20)8-10-16/h7-13H,5-6H2,1-4H3,(H,21,25)
InChIKeyADPQHKCSPSIPLT-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.75
Rot. Bonds6

About 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide (PubChem CID 46515956) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
PubChem CID46515956
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)CCC(C)C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O2/c1-12(2)5-6-13(3)21-19(25)18-17(24)11-14(4)23(22-18)16-9-7-15(20)8-10-16/h7-13H,5-6H2,1-4H3,(H,21,25)
InChIKeyADPQHKCSPSIPLT-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
1-(4-chlorophenyl)-6-methyl-4-oxo-N-(1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 43020246
N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52843256
N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46522145
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 8537721
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
[2-(2-methylpropylamino)-2-oxoethyl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 40709176
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide
CID 46470151
1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088610
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 26924295

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide (CID 46515956) is 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(C)CCC(C)C)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide?
The InChIKey is ADPQHKCSPSIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-12(2)5-6-13(3)21-19(25)18-17(24)11-14(4)23(22-18)16-9-7-15(20)8-10-16/h7-13H,5-6H2,1-4H3,(H,21,25).
What are the key properties of 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 46515956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).