3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

C15H13F4N3O2 — CID 174699847

IUPAC3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1F)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H13F4N3O2/c1-9(22-14(23)11-4-5-20-7-12(11)16)10-2-3-13(21-6-10)24-8-15(17,18)19/h2-7,9H,8H2,1H3,(H,22,23)
InChIKeyAUVHGULKCHHDFM-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.05
Rot. Bonds5

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

3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 174699847) has the molecular formula C15H13F4N3O2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
PubChem CID174699847
Molecular FormulaC15H13F4N3O2
Molecular Weight343.28 g/mol
Exact Mass343.09
IUPAC Name3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1F)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H13F4N3O2/c1-9(22-14(23)11-4-5-20-7-12(11)16)10-2-3-13(21-6-10)24-8-15(17,18)19/h2-7,9H,8H2,1H3,(H,22,23)
InChIKeyAUVHGULKCHHDFM-UHFFFAOYSA-N
XLogP3.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[N'-(2-methylpropyl)carbamimidoyl]amino]-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 150126258
2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide
CID 118497754
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
2-bromo-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87426946
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide
CID 67511565
3-amino-6-methyl-2-(2-methylprop-2-enoyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 174687512
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284679
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
2-(2-oxopentyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 158848716
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 149045512
2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide
CID 142764995

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 174699847) is 3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1F)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
The InChIKey is AUVHGULKCHHDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O2/c1-9(22-14(23)11-4-5-20-7-12(11)16)10-2-3-13(21-6-10)24-8-15(17,18)19/h2-7,9H,8H2,1H3,(H,22,23).
What are the key properties of 3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?
3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 343.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 174699847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).