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

C16H21N3O2 — CID 18077182

IUPAC6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCCC(C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H21N3O2/c1-3-7-12(2)17-16(21)14-10-11-15(20)19(18-14)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,21)
InChIKeyVCVHGAXIFJYHIQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds5

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

6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 18077182) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID18077182
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCCC(C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H21N3O2/c1-3-7-12(2)17-16(21)14-10-11-15(20)19(18-14)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,21)
InChIKeyVCVHGAXIFJYHIQ-UHFFFAOYSA-N
XLogP2.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
N-[1-(4-ethylphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112762239
N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112766088
N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 124616260
N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18083745
N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 33345580
6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 35222787
N-[(1S)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 33345585
N-[furan-2-yl(phenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 134029367
N-(2-morpholin-4-ylpropyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 51078106
N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 18077182) is 6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CCCC(C)NC(=O)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of 6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VCVHGAXIFJYHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-7-12(2)17-16(21)14-10-11-15(20)19(18-14)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,21).
What are the key properties of 6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 18077182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).