1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide

C20H24N6O2 — CID 60518761

IUPAC1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NCCCNc3ncccn3)CCC2=O)c1
InChIInChI=1S/C20H24N6O2/c1-14-5-6-15(2)17(13-14)26-18(27)8-7-16(25-26)19(28)21-9-3-10-22-20-23-11-4-12-24-20/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,28)(H,22,23,24)
InChIKeyDZBKGBOYWXZVIE-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.19
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60518761) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID60518761
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NCCCNc3ncccn3)CCC2=O)c1
InChIInChI=1S/C20H24N6O2/c1-14-5-6-15(2)17(13-14)26-18(27)8-7-16(25-26)19(28)21-9-3-10-22-20-23-11-4-12-24-20/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,28)(H,22,23,24)
InChIKeyDZBKGBOYWXZVIE-UHFFFAOYSA-N
XLogP2.19
TPSA99.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-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

1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 30249387
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55586186
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51153065
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 37363132
1-(2,5-dimethylphenyl)-N-[2-(3-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46433241
1-(2,5-dimethylphenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43004883
1-(2,5-dimethylphenyl)-N-[2-(2-methylpropoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60532904
1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
(2-chloro-3-pyridinyl)methyl 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 56528269
1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55742599
1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 51193079

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide (CID 60518761) is 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)NCCCNc3ncccn3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is DZBKGBOYWXZVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-5-6-15(2)17(13-14)26-18(27)8-7-16(25-26)19(28)21-9-3-10-22-20-23-11-4-12-24-20/h4-6,11-13H,3,7-10H2,1-2H3,(H,21,28)(H,22,23,24).
What are the key properties of 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60518761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).