3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide

C14H12ClN3O3 — CID 163591069

IUPAC3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESC=C(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C14H12ClN3O3/c1-8(7-19)16-13(20)11-6-12(17-18-14(11)21)9-2-4-10(15)5-3-9/h2-6,19H,1,7H2,(H,16,20)(H,18,21)
InChIKeyGPOWRGCPYVFUSL-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.33
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide

3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 163591069) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID163591069
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESC=C(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C14H12ClN3O3/c1-8(7-19)16-13(20)11-6-12(17-18-14(11)21)9-2-4-10(15)5-3-9/h2-6,19H,1,7H2,(H,16,20)(H,18,21)
InChIKeyGPOWRGCPYVFUSL-UHFFFAOYSA-N
XLogP1.33
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 150536547
3-[5-[(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyridazin-3-yl]benzoic acid
CID 59018051
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 69217820
5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 82445707
N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59853619
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445739
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 136660992

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide (CID 163591069) is 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide is C=C(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is GPOWRGCPYVFUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8(7-19)16-13(20)11-6-12(17-18-14(11)21)9-2-4-10(15)5-3-9/h2-6,19H,1,7H2,(H,16,20)(H,18,21).
What are the key properties of 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide?
3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 305.72 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-hydroxyprop-1-en-2-yl)-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 163591069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).