N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide

C17H18ClF3N4O — CID 109125237

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H18ClF3N4O/c1-10(2)7-8-22-15-6-5-14(24-25-15)16(26)23-11-3-4-13(18)12(9-11)17(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMDUIOJMKZUDVNZ-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.86
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide (PubChem CID 109125237) has the molecular formula C17H18ClF3N4O and a molecular weight of 386.81 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
PubChem CID109125237
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H18ClF3N4O/c1-10(2)7-8-22-15-6-5-14(24-25-15)16(26)23-11-3-4-13(18)12(9-11)17(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMDUIOJMKZUDVNZ-UHFFFAOYSA-N
XLogP4.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125242
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184
N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125187
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 109031971
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219
4-chloro-N-(4-methylpentyl)-3-(trifluoromethyl)aniline
CID 83155392

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide (CID 109125237) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The InChIKey is MDUIOJMKZUDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O/c1-10(2)7-8-22-15-6-5-14(24-25-15)16(26)23-11-3-4-13(18)12(9-11)17(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).