1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide

C20H26N4O3 — CID 30725741

IUPAC1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)ccc1=O
InChIInChI=1S/C20H26N4O3/c1-4-7-14-24-18(25)13-12-17(22-24)19(26)21-16-10-8-15(9-11-16)20(27)23(5-2)6-3/h8-13H,4-7,14H2,1-3H3,(H,21,26)
InChIKeyKUDPFSKNZCSCFM-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.78
Rot. Bonds8

About 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 30725741) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID30725741
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)ccc1=O
InChIInChI=1S/C20H26N4O3/c1-4-7-14-24-18(25)13-12-17(22-24)19(26)21-16-10-8-15(9-11-16)20(27)23(5-2)6-3/h8-13H,4-7,14H2,1-3H3,(H,21,26)
InChIKeyKUDPFSKNZCSCFM-UHFFFAOYSA-N
XLogP2.78
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-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-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-N-[4-(3-methylphenoxy)phenyl]-6-oxopyridazine-3-carboxamide
CID 55342870
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 55657872
1-butyl-6-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyridazine-3-carboxamide
CID 37275934

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide (CID 30725741) is 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)ccc1=O.
What is the InChIKey of 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is KUDPFSKNZCSCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-7-14-24-18(25)13-12-17(22-24)19(26)21-16-10-8-15(9-11-16)20(27)23(5-2)6-3/h8-13H,4-7,14H2,1-3H3,(H,21,26).
What are the key properties of 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-(diethylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 30725741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).