N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide

C12H10ClN3O — CID 110851460

IUPACN-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccnn1
InChIInChI=1S/C12H10ClN3O/c13-10-5-3-9(4-6-10)8-14-12(17)11-2-1-7-15-16-11/h1-7H,8H2,(H,14,17)
InChIKeyAIRIPRBSYMCSKM-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.06
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide (PubChem CID 110851460) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
PubChem CID110851460
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccnn1
InChIInChI=1S/C12H10ClN3O/c13-10-5-3-9(4-6-10)8-14-12(17)11-2-1-7-15-16-11/h1-7H,8H2,(H,14,17)
InChIKeyAIRIPRBSYMCSKM-UHFFFAOYSA-N
XLogP2.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094411
N-propylpyridazine-3-carboxamide
CID 89418818
N-(2-phenylethyl)pyridazine-3-carboxamide
CID 5299221
N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
CID 109119900
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-N-[(4-chlorophenyl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093837
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
2-N-[(4-chlorophenyl)methyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109097951
N-[[4-(4-chlorophenoxy)phenyl]methyl]thiadiazole-4-carboxamide
CID 73254131

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide (CID 110851460) is N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cccnn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is AIRIPRBSYMCSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-10-5-3-9(4-6-10)8-14-12(17)11-2-1-7-15-16-11/h1-7H,8H2,(H,14,17).
What are the key properties of N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 110851460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).