2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide

C18H21N3O3 — CID 22452196

IUPAC2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(OC)cc2)nn(CC2CC2)c1=O
InChIInChI=1S/C18H21N3O3/c1-3-19-17(22)15-10-16(13-6-8-14(24-2)9-7-13)20-21(18(15)23)11-12-4-5-12/h6-10,12H,3-5,11H2,1-2H3,(H,19,22)
InChIKeyVFJOYQDDCBMPTR-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.08
Rot. Bonds6

About 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide

2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide (PubChem CID 22452196) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide
PubChem CID22452196
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide
SMILESCCNC(=O)c1cc(-c2ccc(OC)cc2)nn(CC2CC2)c1=O
InChIInChI=1S/C18H21N3O3/c1-3-19-17(22)15-10-16(13-6-8-14(24-2)9-7-13)20-21(18(15)23)11-12-4-5-12/h6-10,12H,3-5,11H2,1-2H3,(H,19,22)
InChIKeyVFJOYQDDCBMPTR-UHFFFAOYSA-N
XLogP2.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide
CID 22452215
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
CID 82447655
2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16669446
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
2-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569655
ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
CID 22452273
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
2-ethylsulfanyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 121033580
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 121033526

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide (CID 22452196) is 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide is CCNC(=O)c1cc(-c2ccc(OC)cc2)nn(CC2CC2)c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide?
The InChIKey is VFJOYQDDCBMPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-19-17(22)15-10-16(13-6-8-14(24-2)9-7-13)20-21(18(15)23)11-12-4-5-12/h6-10,12H,3-5,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide?
2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 22452196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).