6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide

C15H16ClN3O3 — CID 175013579

IUPAC6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide
SMILESO=C(NC1COCC1O)C1=CC=C(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C15H16ClN3O3/c16-10-3-1-9(2-4-10)11-5-6-12(19-18-11)15(21)17-13-7-22-8-14(13)20/h1-6,13-14,18-20H,7-8H2,(H,17,21)
InChIKeyKHHZQEFWTLYSKN-UHFFFAOYSA-N
MW321.76 g/mol
LogP0.55
Rot. Bonds3

About 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide

6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide (PubChem CID 175013579) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide
PubChem CID175013579
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide
SMILESO=C(NC1COCC1O)C1=CC=C(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C15H16ClN3O3/c16-10-3-1-9(2-4-10)11-5-6-12(19-18-11)15(21)17-13-7-22-8-14(13)20/h1-6,13-14,18-20H,7-8H2,(H,17,21)
InChIKeyKHHZQEFWTLYSKN-UHFFFAOYSA-N
XLogP0.55
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 150536547
N-(4-hydroxyoxolan-3-yl)-1H-pyrrole-3-carboxamide
CID 141205463
6-(4-chlorophenyl)-N-[(3R)-4-hydroxyoxolan-3-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 155351363
5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide
CID 166229070
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
CID 86315428
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide
CID 155953824
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
CID 166381470
5-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-3-carboxamide
CID 130697664
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide (CID 175013579) is 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide is O=C(NC1COCC1O)C1=CC=C(c2ccc(Cl)cc2)NN1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide?
The InChIKey is KHHZQEFWTLYSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c16-10-3-1-9(2-4-10)11-5-6-12(19-18-11)15(21)17-13-7-22-8-14(13)20/h1-6,13-14,18-20H,7-8H2,(H,17,21).
What are the key properties of 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide?
6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(4-hydroxyoxolan-3-yl)-1,2-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 175013579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).