3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide

C15H14ClN3O4 — CID 150536547

IUPAC3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C15H14ClN3O4/c16-9-3-1-8(2-4-9)11-5-10(15(22)19-18-11)14(21)17-12-6-23-7-13(12)20/h1-5,12-13,20H,6-7H2,(H,17,21)(H,19,22)/t12-,13-/m1/s1
InChIKeyIEYQMPOWYWJEEL-CHWSQXEVSA-N
MW335.75 g/mol
LogP0.58
Rot. Bonds3

About 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide

3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 150536547) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID150536547
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C15H14ClN3O4/c16-9-3-1-8(2-4-9)11-5-10(15(22)19-18-11)14(21)17-12-6-23-7-13(12)20/h1-5,12-13,20H,6-7H2,(H,17,21)(H,19,22)/t12-,13-/m1/s1
InChIKeyIEYQMPOWYWJEEL-CHWSQXEVSA-N
XLogP0.58
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide
CID 175013579
6-(4-chlorophenyl)-N-[(3R)-4-hydroxyoxolan-3-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 155351363
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide
CID 163591069
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide
CID 135113691
3-amino-2,6-dichloro-N-(4-hydroxyoxolan-3-yl)pyridine-4-carboxamide
CID 170219148
N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide
CID 139978344
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
3-[5-[(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyridazin-3-yl]benzoic acid
CID 59018051
3-(4-chlorophenyl)-N-(1,1-dioxothian-3-yl)-1H-pyrazole-5-carboxamide
CID 127319581

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide (CID 150536547) is 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide is O=C(N[C@@H]1COC[C@H]1O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is IEYQMPOWYWJEEL-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-9-3-1-8(2-4-9)11-5-10(15(22)19-18-11)14(21)17-12-6-23-7-13(12)20/h1-5,12-13,20H,6-7H2,(H,17,21)(H,19,22)/t12-,13-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide?
3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 335.75 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 150536547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).