N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide

C16H19N3O2 — CID 134059029

IUPACN-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12(2)11-18(3)16(21)14-9-10-15(20)19(17-14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
InChIKeyLACSFERONHPWTP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.96
Rot. Bonds4

About N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 134059029) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID134059029
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12(2)11-18(3)16(21)14-9-10-15(20)19(17-14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
InChIKeyLACSFERONHPWTP-UHFFFAOYSA-N
XLogP1.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 134058913
N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31899986
N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31883996
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 166181653
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55581751
2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193091
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747
N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 86859455
1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 111695210

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 134059029) is N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide is CC(C)CN(C)C(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is LACSFERONHPWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(2)11-18(3)16(21)14-9-10-15(20)19(17-14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 134059029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).