N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C16H19N3O3 — CID 46522145

IUPACN-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOCC(C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C16H19N3O3/c1-11(10-22-3)17-16(21)15-14(20)9-12(2)19(18-15)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,17,21)
InChIKeyZMKNDLQNCRDHAW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.31
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 46522145) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID46522145
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOCC(C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C16H19N3O3/c1-11(10-22-3)17-16(21)15-14(20)9-12(2)19(18-15)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,17,21)
InChIKeyZMKNDLQNCRDHAW-UHFFFAOYSA-N
XLogP1.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52843256
1-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18161080
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide
CID 51131195
6-methyl-4-oxo-1-phenyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridazine-3-carboxamide
CID 46470785
1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
CID 46515956
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

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 46522145) is N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is COCC(C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is ZMKNDLQNCRDHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(10-22-3)17-16(21)15-14(20)9-12(2)19(18-15)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,17,21).
What are the key properties of N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 46522145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).