1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide

C19H22N4O3 — CID 53066171

IUPAC1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)NC3CC3)n2)cc1C
InChIInChI=1S/C19H22N4O3/c1-12-3-4-15(11-13(12)2)21-19(26)16-7-8-18(25)23(22-16)10-9-17(24)20-14-5-6-14/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyRRIPNSXYWVCWPG-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.78
Rot. Bonds6

About 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide

1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 53066171) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID53066171
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)NC3CC3)n2)cc1C
InChIInChI=1S/C19H22N4O3/c1-12-3-4-15(11-13(12)2)21-19(26)16-7-8-18(25)23(22-16)10-9-17(24)20-14-5-6-14/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyRRIPNSXYWVCWPG-UHFFFAOYSA-N
XLogP1.78
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(cycloheptylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066145
1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066191
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066181
1-[3-(cyclopentylamino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065911
N-(3,4-dimethylphenyl)-1-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-6-oxopyridazine-3-carboxamide
CID 53066184
N-(3,4-dimethylphenyl)-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-6-oxopyridazine-3-carboxamide
CID 53066161
1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065932
N-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 41248002
1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066134
1-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065956
N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065999

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide (CID 53066171) is 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)NC3CC3)n2)cc1C.
What is the InChIKey of 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is RRIPNSXYWVCWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-3-4-15(11-13(12)2)21-19(26)16-7-8-18(25)23(22-16)10-9-17(24)20-14-5-6-14/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,20,24)(H,21,26).
What are the key properties of 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53066171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).