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

C11H13ClF3N3O — CID 62172627

IUPAC5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NCC(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3N3O/c1-2-3-16-9-8(12)4-7(5-17-9)10(19)18-6-11(13,14)15/h4-5H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyZSKITJNLHUVPJU-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.85
Rot. Bonds5

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

5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 62172627) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID62172627
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NCC(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3N3O/c1-2-3-16-9-8(12)4-7(5-17-9)10(19)18-6-11(13,14)15/h4-5H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyZSKITJNLHUVPJU-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180209
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047
5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 106423014
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55042480
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide
CID 66355264
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 82949525
5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181483

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 62172627) is 5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCCNc1ncc(C(=O)NCC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is ZSKITJNLHUVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-2-3-16-9-8(12)4-7(5-17-9)10(19)18-6-11(13,14)15/h4-5H,2-3,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62172627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).