N-(2-phenylethyl)pyridazine-3-carboxamide

C13H13N3O — CID 5299221

IUPACN-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccnn1
InChIInChI=1S/C13H13N3O/c17-13(12-7-4-9-15-16-12)14-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,14,17)
InChIKeyYFLDHFZAVWZGAN-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.45
Rot. Bonds4

About N-(2-phenylethyl)pyridazine-3-carboxamide

N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 5299221) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID5299221
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccnn1
InChIInChI=1S/C13H13N3O/c17-13(12-7-4-9-15-16-12)14-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,14,17)
InChIKeyYFLDHFZAVWZGAN-UHFFFAOYSA-N
XLogP1.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 152622333
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
N-propylpyridazine-3-carboxamide
CID 89418818
N-pentylpyridazine-3-carboxamide;hydrochloride
CID 143205726
N-(2-cyclopropylethyl)pyridazine-3-carboxamide;hydrochloride
CID 141153348
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-phenylpyridazine-3-carboxamide
CID 23633015
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 110851460
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)pyridazine-3-carboxamide (CID 5299221) is N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)pyridazine-3-carboxamide is O=C(NCCc1ccccc1)c1cccnn1.
What is the InChIKey of N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is YFLDHFZAVWZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13(12-7-4-9-15-16-12)14-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,14,17).
What are the key properties of N-(2-phenylethyl)pyridazine-3-carboxamide?
N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 5299221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).