2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide

C14H13F3N4O2 — CID 141332123

IUPAC2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide
SMILESCC(c1ccc(OCC(F)(F)F)nc1)c1nccc(C(N)=O)n1
InChIInChI=1S/C14H13F3N4O2/c1-8(13-19-5-4-10(21-13)12(18)22)9-2-3-11(20-6-9)23-7-14(15,16)17/h2-6,8H,7H2,1H3,(H2,18,22)
InChIKeyYPJPEPXOKDIIDU-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.06
Rot. Bonds5

About 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide

2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide (PubChem CID 141332123) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide
PubChem CID141332123
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide
SMILESCC(c1ccc(OCC(F)(F)F)nc1)c1nccc(C(N)=O)n1
InChIInChI=1S/C14H13F3N4O2/c1-8(13-19-5-4-10(21-13)12(18)22)9-2-3-11(20-6-9)23-7-14(15,16)17/h2-6,8H,7H2,1H3,(H2,18,22)
InChIKeyYPJPEPXOKDIIDU-UHFFFAOYSA-N
XLogP2.06
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
[2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
CID 175381143
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide
CID 142764995
3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 174699847
3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine
CID 159612419
(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide
CID 122446875
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 149045512
4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 136520401
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
S-[3,4-dihydroxy-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butyl] ethanethioate
CID 171876811

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide (CID 141332123) is 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide is CC(c1ccc(OCC(F)(F)F)nc1)c1nccc(C(N)=O)n1.
What is the InChIKey of 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is YPJPEPXOKDIIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-8(13-19-5-4-10(21-13)12(18)22)9-2-3-11(20-6-9)23-7-14(15,16)17/h2-6,8H,7H2,1H3,(H2,18,22).
What are the key properties of 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide?
2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 141332123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).