N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C13H18F3N3O2 — CID 107486117

IUPACN-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-2-4-18-11-8-17-5-3-10(11)12(21)19(6-7-20)9-13(14,15)16/h3,5,8,18,20H,2,4,6-7,9H2,1H3
InChIKeySKXOQIROFPTMNS-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.90
Rot. Bonds7

About N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 107486117) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID107486117
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-2-4-18-11-8-17-5-3-10(11)12(21)19(6-7-20)9-13(14,15)16/h3,5,8,18,20H,2,4,6-7,9H2,1H3
InChIKeySKXOQIROFPTMNS-UHFFFAOYSA-N
XLogP1.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105068933
N-ethyl-3-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105071681
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 113240838
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
CID 105068541
N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937503
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071302
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295553
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070360

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 107486117) is N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is SKXOQIROFPTMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-2-4-18-11-8-17-5-3-10(11)12(21)19(6-7-20)9-13(14,15)16/h3,5,8,18,20H,2,4,6-7,9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 107486117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).