N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide

C14H12F3N3O2 — CID 39503685

IUPACN-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)9-22-12-7-10(1-6-19-12)8-20-13(21)11-2-4-18-5-3-11/h1-7H,8-9H2,(H,20,21)
InChIKeySLELYMVZBBNCFH-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.35
Rot. Bonds5

About N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide

N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 39503685) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID39503685
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC NameN-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)9-22-12-7-10(1-6-19-12)8-20-13(21)11-2-4-18-5-3-11/h1-7H,8-9H2,(H,20,21)
InChIKeySLELYMVZBBNCFH-UHFFFAOYSA-N
XLogP2.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride
CID 120641796
3,4-dimethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylamino]ethyl]benzamide
CID 55694149
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
1-(1-bicyclo[1.1.1]pentanyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 162524382
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide (CID 39503685) is N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccncc1.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is SLELYMVZBBNCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)9-22-12-7-10(1-6-19-12)8-20-13(21)11-2-4-18-5-3-11/h1-7H,8-9H2,(H,20,21).
What are the key properties of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide?
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 311.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 39503685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).