N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide

C16H15F3N4O — CID 135186383

IUPACN-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2NC2CC2)cnn1
InChIInChI=1S/C16H15F3N4O/c1-9-6-10(8-20-23-9)15(24)22-13-5-2-11(16(17,18)19)7-14(13)21-12-3-4-12/h2,5-8,12,21H,3-4H2,1H3,(H,22,24)
InChIKeyNQFAPZZJSRMDNI-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide

N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide (PubChem CID 135186383) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide
PubChem CID135186383
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2NC2CC2)cnn1
InChIInChI=1S/C16H15F3N4O/c1-9-6-10(8-20-23-9)15(24)22-13-5-2-11(16(17,18)19)7-14(13)21-12-3-4-12/h2,5-8,12,21H,3-4H2,1H3,(H,22,24)
InChIKeyNQFAPZZJSRMDNI-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide
CID 135186364
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8009827
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038098
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
2-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63510359
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
CID 66479132
4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107303820
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250965

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide (CID 135186383) is N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2NC2CC2)cnn1.
What is the InChIKey of N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide?
The InChIKey is NQFAPZZJSRMDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-9-6-10(8-20-23-9)15(24)22-13-5-2-11(16(17,18)19)7-14(13)21-12-3-4-12/h2,5-8,12,21H,3-4H2,1H3,(H,22,24).
What are the key properties of N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide?
N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 135186383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).