5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H15ClF3N3O — CID 62180209

IUPAC5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)N(C)CC(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3N3O/c1-3-4-17-10-9(13)5-8(6-18-10)11(20)19(2)7-12(14,15)16/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeySGAYHWPPCQAIDB-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.19
Rot. Bonds5

About 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 62180209) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID62180209
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)N(C)CC(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3N3O/c1-3-4-17-10-9(13)5-8(6-18-10)11(20)19(2)7-12(14,15)16/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeySGAYHWPPCQAIDB-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55042480
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
5-chloro-6-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180282
5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181483
5-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 62169292
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 82743264
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 82949525
5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide
CID 62175880
5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62170876
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 62180209) is 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCCNc1ncc(C(=O)N(C)CC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is SGAYHWPPCQAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-3-4-17-10-9(13)5-8(6-18-10)11(20)19(2)7-12(14,15)16/h5-6H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 309.72 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62180209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).