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

C20H18N4O2 — CID 33345580

IUPACN-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C20H18N4O2/c1-14(16-9-7-15(13-21)8-10-16)22-20(26)18-11-12-19(25)24(23-18)17-5-3-2-4-6-17/h2-10,14H,11-12H2,1H3,(H,22,26)/t14-/m1/s1
InChIKeyXGGLZSJASLYEDG-CQSZACIVSA-N
MW346.39 g/mol
LogP2.92
Rot. Bonds4

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

N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 33345580) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID33345580
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C20H18N4O2/c1-14(16-9-7-15(13-21)8-10-16)22-20(26)18-11-12-19(25)24(23-18)17-5-3-2-4-6-17/h2-10,14H,11-12H2,1H3,(H,22,26)/t14-/m1/s1
InChIKeyXGGLZSJASLYEDG-CQSZACIVSA-N
XLogP2.92
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 33345585
N-[1-(4-ethylphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112762239
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-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 124616260
N-(4-cyanophenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26698462
6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 35222787
N-[furan-2-yl(phenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 134029367
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
CID 38288341
N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24544300
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 N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 33345580) is N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccc(C#N)cc1.
What is the InChIKey of N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XGGLZSJASLYEDG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14(16-9-7-15(13-21)8-10-16)22-20(26)18-11-12-19(25)24(23-18)17-5-3-2-4-6-17/h2-10,14H,11-12H2,1H3,(H,22,26)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 33345580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).