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

C17H20N2O2S — CID 90611064

IUPACN-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C17H20N2O2S/c20-17(16-5-1-2-9-18-16)19(14-7-11-21-12-8-14)10-6-15-4-3-13-22-15/h1-5,9,13-14H,6-8,10-12H2
InChIKeyQJUZLRIFVFUGIK-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.01
Rot. Bonds5

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

N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 90611064) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID90611064
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C17H20N2O2S/c20-17(16-5-1-2-9-18-16)19(14-7-11-21-12-8-14)10-6-15-4-3-13-22-15/h1-5,9,13-14H,6-8,10-12H2
InChIKeyQJUZLRIFVFUGIK-UHFFFAOYSA-N
XLogP3.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.01
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
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 90610971
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)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
N-cyclopentyl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86927162
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 72717917
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 99873308
N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 54994544

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 90611064) is N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide is O=C(c1ccccn1)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is QJUZLRIFVFUGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(16-5-1-2-9-18-16)19(14-7-11-21-12-8-14)10-6-15-4-3-13-22-15/h1-5,9,13-14H,6-8,10-12H2.
What are the key properties of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90611064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).