5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H14ClF3N2O3 — CID 55738273

IUPAC5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H14ClF3N2O3/c1-9(5-11-3-2-4-23-11)21-13(22)10-6-12(16)14(20-7-10)24-8-15(17,18)19/h2-4,6-7,9H,5,8H2,1H3,(H,21,22)
InChIKeyJKYVJQZIBMQFOU-UHFFFAOYSA-N
MW362.74 g/mol
LogP3.63
Rot. Bonds6

About 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55738273) has the molecular formula C15H14ClF3N2O3 and a molecular weight of 362.74 g/mol. Its IUPAC name is 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55738273
Molecular FormulaC15H14ClF3N2O3
Molecular Weight362.74 g/mol
Exact Mass362.06
IUPAC Name5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H14ClF3N2O3/c1-9(5-11-3-2-4-23-11)21-13(22)10-6-12(16)14(20-7-10)24-8-15(17,18)19/h2-4,6-7,9H,5,8H2,1H3,(H,21,22)
InChIKeyJKYVJQZIBMQFOU-UHFFFAOYSA-N
XLogP3.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55740246
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
CID 113378355
1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 55747068
7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 51938287
5-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51938289
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide
CID 103732716
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55738273) is 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(Cc1ccco1)NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is JKYVJQZIBMQFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O3/c1-9(5-11-3-2-4-23-11)21-13(22)10-6-12(16)14(20-7-10)24-8-15(17,18)19/h2-4,6-7,9H,5,8H2,1H3,(H,21,22).
What are the key properties of 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 362.74 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55738273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).