2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

C18H22N2O3S — CID 90610942

IUPAC2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C18H22N2O3S/c1-22-17-16(5-2-9-19-17)18(21)20(14-7-11-23-12-8-14)10-6-15-4-3-13-24-15/h2-5,9,13-14H,6-8,10-12H2,1H3
InChIKeyXIAYFWUNDDADBN-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.02
Rot. Bonds6

About 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 90610942) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID90610942
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C18H22N2O3S/c1-22-17-16(5-2-9-19-17)18(21)20(14-7-11-23-12-8-14)10-6-15-4-3-13-24-15/h2-5,9,13-14H,6-8,10-12H2,1H3
InChIKeyXIAYFWUNDDADBN-UHFFFAOYSA-N
XLogP3.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 90610971
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 90611064
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90554677
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90611073
1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea
CID 90611125
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
N-cyclopropyl-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 90496054
2-methoxy-N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638650
2,5-dichloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzamide
CID 71781417
(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 99873308

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 90610942) is 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is COc1ncccc1C(=O)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is XIAYFWUNDDADBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-17-16(5-2-9-19-17)18(21)20(14-7-11-23-12-8-14)10-6-15-4-3-13-24-15/h2-5,9,13-14H,6-8,10-12H2,1H3.
What are the key properties of 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90610942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).