2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C12H16F3N3O — CID 62180106

IUPAC2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cccnc1NC
InChIInChI=1S/C12H16F3N3O/c1-3-7-18(8-12(13,14)15)11(19)9-5-4-6-17-10(9)16-2/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyCFDWQFRDVHSWHP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.54
Rot. Bonds5

About 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 62180106) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID62180106
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cccnc1NC
InChIInChI=1S/C12H16F3N3O/c1-3-7-18(8-12(13,14)15)11(19)9-5-4-6-17-10(9)16-2/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyCFDWQFRDVHSWHP-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486122
N-ethyl-2-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62242635
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 113468052
2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62174306
1-[2-(methylamino)-3-pyridinyl]butan-1-one
CID 59932550
N-(2-bromoethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107492358
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
N-ethyl-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105068933
N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 78883116
N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide
CID 60958905
N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63616260

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 62180106) is 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cccnc1NC.
What is the InChIKey of 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is CFDWQFRDVHSWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-3-7-18(8-12(13,14)15)11(19)9-5-4-6-17-10(9)16-2/h4-6H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62180106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).