4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H14ClF3N2O — CID 81226727

IUPAC4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-3-4-18(7-12(14,15)16)11(19)9-6-17-8(2)5-10(9)13/h5-6H,3-4,7H2,1-2H3
InChIKeyQYJXECYCOSKCPP-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.46
Rot. Bonds4

About 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 81226727) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID81226727
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-3-4-18(7-12(14,15)16)11(19)9-6-17-8(2)5-10(9)13/h5-6H,3-4,7H2,1-2H3
InChIKeyQYJXECYCOSKCPP-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
4-chloro-6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225563
4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111
N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81243054
4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 102978950
4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide
CID 81228294
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127
4-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81227477
ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
CID 81228292
4-(ethylamino)-6-methyl-N,N-dipropylpyridine-3-carboxamide
CID 81235841

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 81226727) is 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is QYJXECYCOSKCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-3-4-18(7-12(14,15)16)11(19)9-6-17-8(2)5-10(9)13/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 294.70 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81226727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).