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

C19H21ClF3N3O3 — CID 55740246

IUPAC5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H21ClF3N3O3/c20-14-9-13(10-25-18(14)29-12-19(21,22)23)17(27)24-11-15(16-5-4-8-28-16)26-6-2-1-3-7-26/h4-5,8-10,15H,1-3,6-7,11-12H2,(H,24,27)
InChIKeyOLOBKHXTLYTIIK-UHFFFAOYSA-N
MW431.84 g/mol
LogP4.23
Rot. Bonds7

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

5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55740246) has the molecular formula C19H21ClF3N3O3 and a molecular weight of 431.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55740246
Molecular FormulaC19H21ClF3N3O3
Molecular Weight431.84 g/mol
Exact Mass431.12
IUPAC Name5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H21ClF3N3O3/c20-14-9-13(10-25-18(14)29-12-19(21,22)23)17(27)24-11-15(16-5-4-8-28-16)26-6-2-1-3-7-26/h4-5,8-10,15H,1-3,6-7,11-12H2,(H,24,27)
InChIKeyOLOBKHXTLYTIIK-UHFFFAOYSA-N
XLogP4.23
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55879759
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 97114625
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 17490617
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55738273
5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 41112953
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide
CID 18161482

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55740246) is 5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCC(c1ccco1)N1CCCCC1)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is OLOBKHXTLYTIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3O3/c20-14-9-13(10-25-18(14)29-12-19(21,22)23)17(27)24-11-15(16-5-4-8-28-16)26-6-2-1-3-7-26/h4-5,8-10,15H,1-3,6-7,11-12H2,(H,24,27).
What are the key properties of 5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 431.84 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55740246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).