6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide

C13H11ClFN3O — CID 61041688

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H11ClFN3O/c1-18(8-9-2-4-10(15)5-3-9)13(19)11-6-7-12(14)17-16-11/h2-7H,8H2,1H3
InChIKeyIXFMHUPJNKWAGS-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.54
Rot. Bonds3

About 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide

6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide (PubChem CID 61041688) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
PubChem CID61041688
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H11ClFN3O/c1-18(8-9-2-4-10(15)5-3-9)13(19)11-6-7-12(14)17-16-11/h2-7H,8H2,1H3
InChIKeyIXFMHUPJNKWAGS-UHFFFAOYSA-N
XLogP2.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 60857881
6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61040897
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
6-chloro-N-hydroxy-N-methylpyridazine-3-carboxamide
CID 130951847
6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 61052923
4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 55041871
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4803573
6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide
CID 54915932

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide (CID 61041688) is 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is IXFMHUPJNKWAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-18(8-9-2-4-10(15)5-3-9)13(19)11-6-7-12(14)17-16-11/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide?
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 61041688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).