N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide

C14H13N3O2 — CID 31900847

IUPACN-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C14H13N3O2/c18-13-9-8-12(14(19)15-10-6-7-10)16-17(13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,15,19)
InChIKeyREKJYUHBUNBPOA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.12
Rot. Bonds3

About N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide

N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 31900847) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID31900847
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C14H13N3O2/c18-13-9-8-12(14(19)15-10-6-7-10)16-17(13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,15,19)
InChIKeyREKJYUHBUNBPOA-UHFFFAOYSA-N
XLogP1.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55631027
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55958775
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide
CID 55634816
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120597820
N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31890180
1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
CID 119128221
N-(4-hydroxycyclohexyl)-1,3-diphenylpyrazole-5-carboxamide
CID 9324133
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55581751

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide (CID 31900847) is N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide is O=C(NC1CC1)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is REKJYUHBUNBPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-9-8-12(14(19)15-10-6-7-10)16-17(13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,15,19).
What are the key properties of N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide?
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31900847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).