N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide

C14H15N3O3 — CID 110887303

IUPACN-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC(CO)NC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-10(9-18)15-14(20)12-7-8-13(19)17(16-12)11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3,(H,15,20)
InChIKeyCBKCUEBEHBELBV-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.34
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 110887303) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID110887303
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC(CO)NC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-10(9-18)15-14(20)12-7-8-13(19)17(16-12)11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3,(H,15,20)
InChIKeyCBKCUEBEHBELBV-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51949577
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55581751
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51941646
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 167473447

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 110887303) is N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide is CC(CO)NC(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is CBKCUEBEHBELBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(9-18)15-14(20)12-7-8-13(19)17(16-12)11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3,(H,15,20).
What are the key properties of N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 110887303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).