N-(2-phenylacetyl)pyridazine-4-carboxamide

C13H11N3O2 — CID 67616367

IUPACN-(2-phenylacetyl)pyridazine-4-carboxamide
SMILESO=C(Cc1ccccc1)NC(=O)c1ccnnc1
InChIInChI=1S/C13H11N3O2/c17-12(8-10-4-2-1-3-5-10)16-13(18)11-6-7-14-15-9-11/h1-7,9H,8H2,(H,16,17,18)
InChIKeyQQZGJYVFWFMWOC-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.98
Rot. Bonds3

About N-(2-phenylacetyl)pyridazine-4-carboxamide

N-(2-phenylacetyl)pyridazine-4-carboxamide (PubChem CID 67616367) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(2-phenylacetyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylacetyl)pyridazine-4-carboxamide
PubChem CID67616367
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(2-phenylacetyl)pyridazine-4-carboxamide
SMILESO=C(Cc1ccccc1)NC(=O)c1ccnnc1
InChIInChI=1S/C13H11N3O2/c17-12(8-10-4-2-1-3-5-10)16-13(18)11-6-7-14-15-9-11/h1-7,9H,8H2,(H,16,17,18)
InChIKeyQQZGJYVFWFMWOC-UHFFFAOYSA-N
XLogP0.98
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 115909603
4-hydroxy-N-(2-phenylacetyl)benzamide
CID 57255220
2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
CID 136517874
N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide
CID 113356437
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide
CID 154759427
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide
CID 90652525
(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
CID 107834971
6-(pyridazine-4-carbonylamino)hexanoic acid
CID 112555129
N-(4-hydroxybutyl)pyridazine-4-carboxamide
CID 106843632

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylacetyl)pyridazine-4-carboxamide?
The IUPAC name of N-(2-phenylacetyl)pyridazine-4-carboxamide (CID 67616367) is N-(2-phenylacetyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(2-phenylacetyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(2-phenylacetyl)pyridazine-4-carboxamide is O=C(Cc1ccccc1)NC(=O)c1ccnnc1.
What is the InChIKey of N-(2-phenylacetyl)pyridazine-4-carboxamide?
The InChIKey is QQZGJYVFWFMWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12(8-10-4-2-1-3-5-10)16-13(18)11-6-7-14-15-9-11/h1-7,9H,8H2,(H,16,17,18).
What are the key properties of N-(2-phenylacetyl)pyridazine-4-carboxamide?
N-(2-phenylacetyl)pyridazine-4-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylacetyl)pyridazine-4-carboxamide is sourced from PubChem (CID 67616367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).