N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H21F3N2O2 — CID 134036717

IUPACN-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(OCC(F)(F)F)nc1)C1CCCCCC1
InChIInChI=1S/C16H21F3N2O2/c1-21(13-6-4-2-3-5-7-13)15(22)12-8-9-14(20-10-12)23-11-16(17,18)19/h8-10,13H,2-7,11H2,1H3
InChIKeyRLFXCBAJAHEADU-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.82
Rot. Bonds4

About N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 134036717) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID134036717
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(OCC(F)(F)F)nc1)C1CCCCCC1
InChIInChI=1S/C16H21F3N2O2/c1-21(13-6-4-2-3-5-7-13)15(22)12-8-9-14(20-10-12)23-11-16(17,18)19/h8-10,13H,2-7,11H2,1H3
InChIKeyRLFXCBAJAHEADU-UHFFFAOYSA-N
XLogP3.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-4-(dimethylamino)azepan-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 100636861
N-piperidin-4-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 119824854
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134004580
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
(2,5-dioxopyrrolidin-1-yl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 87557953
[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 119490982
N-methyl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026117
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55742591
N-cycloheptyl-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 55468966
(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46696653

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 134036717) is N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CN(C(=O)c1ccc(OCC(F)(F)F)nc1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is RLFXCBAJAHEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-21(13-6-4-2-3-5-7-13)15(22)12-8-9-14(20-10-12)23-11-16(17,18)19/h8-10,13H,2-7,11H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 134036717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).