4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C13H18F3N3O — CID 62180104

IUPAC4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(NCC)ccn1
InChIInChI=1S/C13H18F3N3O/c1-3-7-19(9-13(14,15)16)12(20)11-8-10(17-4-2)5-6-18-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyQTMWFKFLSMSNFZ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.93
Rot. Bonds6

About 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 62180104) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID62180104
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(NCC)ccn1
InChIInChI=1S/C13H18F3N3O/c1-3-7-19(9-13(14,15)16)12(20)11-8-10(17-4-2)5-6-18-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyQTMWFKFLSMSNFZ-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180747
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213420
4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109215470
4-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109211884
4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 114384362
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
4-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 62249260
4-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-2-carboxamide
CID 62169428
4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218386

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 62180104) is 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cc(NCC)ccn1.
What is the InChIKey of 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is QTMWFKFLSMSNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-3-7-19(9-13(14,15)16)12(20)11-8-10(17-4-2)5-6-18-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62180104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).