N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C17H21N3O3 — CID 52843256

IUPACN-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOCC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C17H21N3O3/c1-12(9-10-23-3)18-17(22)16-15(21)11-13(2)20(19-16)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyBFEMHQDWNQTHQF-GFCCVEGCSA-N
MW315.37 g/mol
LogP1.70
Rot. Bonds6

About N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 52843256) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID52843256
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOCC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C17H21N3O3/c1-12(9-10-23-3)18-17(22)16-15(21)11-13(2)20(19-16)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,18,22)/t12-/m1/s1
InChIKeyBFEMHQDWNQTHQF-GFCCVEGCSA-N
XLogP1.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46522145
1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18161080
6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide
CID 51131195
1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
CID 46515956
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
CID 46470785
N-[1-(2,5-difluorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46591208
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33126295
N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 111115964
6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide
CID 35240540

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 52843256) is N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is COCC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O.
What is the InChIKey of N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is BFEMHQDWNQTHQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(9-10-23-3)18-17(22)16-15(21)11-13(2)20(19-16)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 52843256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).