4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide

C11H12ClF3N2O — CID 113461638

IUPAC4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)CC(F)(F)F)cn1
InChIInChI=1S/C11H12ClF3N2O/c1-6-3-9(12)8(5-16-6)10(18)17-7(2)4-11(13,14)15/h3,5,7H,4H2,1-2H3,(H,17,18)
InChIKeyDCYYLUAOJRVAEM-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.11
Rot. Bonds3

About 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide (PubChem CID 113461638) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
PubChem CID113461638
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)CC(F)(F)F)cn1
InChIInChI=1S/C11H12ClF3N2O/c1-6-3-9(12)8(5-16-6)10(18)17-7(2)4-11(13,14)15/h3,5,7H,4H2,1-2H3,(H,17,18)
InChIKeyDCYYLUAOJRVAEM-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 115283582
4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 82944808
4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
CID 81226447
N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81226013
tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
CID 103873980
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81226364
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 114093375
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide (CID 113461638) is 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC(C)CC(F)(F)F)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide?
The InChIKey is DCYYLUAOJRVAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-6-3-9(12)8(5-16-6)10(18)17-7(2)4-11(13,14)15/h3,5,7H,4H2,1-2H3,(H,17,18).
What are the key properties of 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide has a molecular weight of 280.68 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 113461638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).