1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide

C24H27N3O2 — CID 42162037

IUPAC1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1=O
InChIInChI=1S/C24H27N3O2/c1-2-3-18-27-23(28)15-14-22(26-27)24(29)25-17-16-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,21H,2-3,16-18H2,1H3,(H,25,29)
InChIKeyPGNJXOGLDSGRFJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.00
Rot. Bonds9

About 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide (PubChem CID 42162037) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
PubChem CID42162037
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1=O
InChIInChI=1S/C24H27N3O2/c1-2-3-18-27-23(28)15-14-22(26-27)24(29)25-17-16-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,21H,2-3,16-18H2,1H3,(H,25,29)
InChIKeyPGNJXOGLDSGRFJ-UHFFFAOYSA-N
XLogP4.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
CID 103862339
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49003488
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
1-butyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 103767607
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide (CID 42162037) is 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1=O.
What is the InChIKey of 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is PGNJXOGLDSGRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-3-18-27-23(28)15-14-22(26-27)24(29)25-17-16-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,21H,2-3,16-18H2,1H3,(H,25,29).
What are the key properties of 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42162037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).