N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C15H15N5O3 — CID 124616260

IUPACN-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ncon1
InChIInChI=1S/C15H15N5O3/c1-10(14-16-9-23-19-14)17-15(22)12-7-8-13(21)20(18-12)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,22)/t10-/m1/s1
InChIKeyJLDNWJBXPFHDRQ-SNVBAGLBSA-N
MW313.32 g/mol
LogP1.43
Rot. Bonds4

About N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 124616260) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID124616260
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ncon1
InChIInChI=1S/C15H15N5O3/c1-10(14-16-9-23-19-14)17-15(22)12-7-8-13(21)20(18-12)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,22)/t10-/m1/s1
InChIKeyJLDNWJBXPFHDRQ-SNVBAGLBSA-N
XLogP1.43
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18077182
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-[(1S)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 33345585
6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 35222787
N-[1-(4-methylphenyl)propyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112766088
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
(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 124590772
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 124616260) is N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ncon1.
What is the InChIKey of N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is JLDNWJBXPFHDRQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-10(14-16-9-23-19-14)17-15(22)12-7-8-13(21)20(18-12)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,22)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 124616260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).