2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C14H17F3N2O3 — CID 90554677

IUPAC2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H17F3N2O3/c1-21-12-11(3-2-6-18-12)13(20)19(9-14(15,16)17)10-4-7-22-8-5-10/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyQPEPILTUQNIRQS-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.27
Rot. Bonds4

About 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 90554677) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID90554677
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C14H17F3N2O3/c1-21-12-11(3-2-6-18-12)13(20)19(9-14(15,16)17)10-4-7-22-8-5-10/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyQPEPILTUQNIRQS-UHFFFAOYSA-N
XLogP2.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 90610942
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 122135450
N-(2-bromoethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107492358
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614111
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxypyridine-3-carboxamide
CID 77037925
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
CID 134003236
4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554705
N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide
CID 90554748
N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63108556
N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 99859349

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 90554677) is 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is COc1ncccc1C(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is QPEPILTUQNIRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-21-12-11(3-2-6-18-12)13(20)19(9-14(15,16)17)10-4-7-22-8-5-10/h2-3,6,10H,4-5,7-9H2,1H3.
What are the key properties of 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 318.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90554677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).