N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H15F3N2O2S — CID 134004580

IUPACN-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(c1ccc(OCC(F)(F)F)nc1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)10-23-14-6-3-11(8-20-14)15(22)21(12-4-5-12)9-13-2-1-7-24-13/h1-3,6-8,12H,4-5,9-10H2
InChIKeySUPLSYWQCNDPCK-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.89
Rot. Bonds6

About N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 134004580) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID134004580
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(c1ccc(OCC(F)(F)F)nc1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)10-23-14-6-3-11(8-20-14)15(22)21(12-4-5-12)9-13-2-1-7-24-13/h1-3,6-8,12H,4-5,9-10H2
InChIKeySUPLSYWQCNDPCK-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55581078
N-piperidin-4-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 119824854
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62242780
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 56811644
N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 135106664
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55742591
N-cyclopropyl-5-(methylamino)-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 107375295
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 113387731
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 134004580) is N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(c1ccc(OCC(F)(F)F)nc1)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is SUPLSYWQCNDPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)10-23-14-6-3-11(8-20-14)15(22)21(12-4-5-12)9-13-2-1-7-24-13/h1-3,6-8,12H,4-5,9-10H2.
What are the key properties of N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 134004580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).