5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C18H19ClF3N3O — CID 109196096

IUPAC5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C18H19ClF3N3O/c1-3-4-9-25(2)13-6-8-15(23-11-13)17(26)24-16-10-12(18(20,21)22)5-7-14(16)19/h5-8,10-11H,3-4,9H2,1-2H3,(H,24,26)
InChIKeyJZTZLRCKNIWSBQ-UHFFFAOYSA-N
MW385.82 g/mol
LogP5.24
Rot. Bonds6

About 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109196096) has the molecular formula C18H19ClF3N3O and a molecular weight of 385.82 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109196096
Molecular FormulaC18H19ClF3N3O
Molecular Weight385.82 g/mol
Exact Mass385.12
IUPAC Name5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C18H19ClF3N3O/c1-3-4-9-25(2)13-6-8-15(23-11-13)17(26)24-16-10-12(18(20,21)22)5-7-14(16)19/h5-8,10-11H,3-4,9H2,1-2H3,(H,24,26)
InChIKeyJZTZLRCKNIWSBQ-UHFFFAOYSA-N
XLogP5.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.82
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150
5-[butyl(methyl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109196077
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181346
5-[butyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109196079
5-[butyl(methyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179517
5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109195719
1-N-butyl-4-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043789
N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109196108
5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109185972
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 108990980
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238959
3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113115861

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109196096) is 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CCCCN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is JZTZLRCKNIWSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O/c1-3-4-9-25(2)13-6-8-15(23-11-13)17(26)24-16-10-12(18(20,21)22)5-7-14(16)19/h5-8,10-11H,3-4,9H2,1-2H3,(H,24,26).
What are the key properties of 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 385.82 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109196096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).