N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide

C17H14N4O2 — CID 31903731

IUPACN-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O2/c1-12-6-5-11-18-16(12)19-17(23)14-9-10-15(22)21(20-14)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,23)
InChIKeyKHGZRQSGNOFKIG-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.19
Rot. Bonds3

About N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 31903731) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID31903731
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O2/c1-12-6-5-11-18-16(12)19-17(23)14-9-10-15(22)21(20-14)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,23)
InChIKeyKHGZRQSGNOFKIG-UHFFFAOYSA-N
XLogP2.19
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 31903731) is N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide is Cc1cccnc1NC(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is KHGZRQSGNOFKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-12-6-5-11-18-16(12)19-17(23)14-9-10-15(22)21(20-14)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,23).
What are the key properties of N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31903731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).