N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H12ClN3O3 — CID 95967246

IUPACN-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H12ClN3O3/c14-9-3-1-8(2-4-9)11(18)7-15-13(20)10-5-6-12(19)17-16-10/h1-6,11,18H,7H2,(H,15,20)(H,17,19)/t11-/m0/s1
InChIKeyVYZIFIBOVRHQAG-NSHDSACASA-N
MW293.71 g/mol
LogP0.89
Rot. Bonds4

About N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 95967246) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID95967246
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H12ClN3O3/c14-9-3-1-8(2-4-9)11(18)7-15-13(20)10-5-6-12(19)17-16-10/h1-6,11,18H,7H2,(H,15,20)(H,17,19)/t11-/m0/s1
InChIKeyVYZIFIBOVRHQAG-NSHDSACASA-N
XLogP0.89
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
CID 119526376
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042614
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019850
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94182994
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43005804
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 95967246) is N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VYZIFIBOVRHQAG-NSHDSACASA-N. The full InChI is InChI=1S/C13H12ClN3O3/c14-9-3-1-8(2-4-9)11(18)7-15-13(20)10-5-6-12(19)17-16-10/h1-6,11,18H,7H2,(H,15,20)(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 293.71 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 95967246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).