N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide

C14H12F3N3O — CID 29182024

IUPACN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnnc1
InChIInChI=1S/C14H12F3N3O/c1-20(13(21)11-5-6-18-19-8-11)9-10-3-2-4-12(7-10)14(15,16)17/h2-8H,9H2,1H3
InChIKeyHPOAYIVKPXIPBE-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.77
Rot. Bonds3

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

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide (PubChem CID 29182024) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
PubChem CID29182024
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnnc1
InChIInChI=1S/C14H12F3N3O/c1-20(13(21)11-5-6-18-19-8-11)9-10-3-2-4-12(7-10)14(15,16)17/h2-8H,9H2,1H3
InChIKeyHPOAYIVKPXIPBE-UHFFFAOYSA-N
XLogP2.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 146085025
2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 26315578
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 72940877
5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 171547604
1-methyl-3-(1H-pyrazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47071993
N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide
CID 68738978

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide (CID 29182024) is N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnnc1.
What is the InChIKey of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide?
The InChIKey is HPOAYIVKPXIPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-20(13(21)11-5-6-18-19-8-11)9-10-3-2-4-12(7-10)14(15,16)17/h2-8H,9H2,1H3.
What are the key properties of N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide?
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 29182024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).