6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide

C14H17N3O2 — CID 3469498

IUPAC6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C14H17N3O2/c1-10(2)15-14(19)12-8-9-13(18)17(16-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,19)
InChIKeyCRUKTNLAFAFXHS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.69
Rot. Bonds3

About 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide

6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 3469498) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
PubChem CID3469498
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C14H17N3O2/c1-10(2)15-14(19)12-8-9-13(18)17(16-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,19)
InChIKeyCRUKTNLAFAFXHS-UHFFFAOYSA-N
XLogP1.69
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18077182
6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 35222787
N-[1-(4-ethylphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112762239
N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 33345580
N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 124616260
N-[(1S)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 33345585
N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112766088
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023
N-[furan-2-yl(phenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 134029367
N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18083745
N-(2-morpholin-4-ylpropyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 51078106

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide (CID 3469498) is 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide is CC(C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is CRUKTNLAFAFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)15-14(19)12-8-9-13(18)17(16-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,19).
What are the key properties of 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide?
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 3469498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).