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N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide

C16H18N2O2S — CID 12005993

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCc1cccc(NC(=O)C2(c3cccs3)CCOCC2)n1
InChIInChI=1S/C16H18N2O2S/c1-12-4-2-6-14(17-12)18-15(19)16(7-9-20-10-8-16)13-5-3-11-21-13/h2-6,11H,7-10H2,1H3,(H,17,18,19)
InChIKeyILQFXAXIQXOFLT-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.14
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide

N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 12005993) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID12005993
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCc1cccc(NC(=O)C2(c3cccs3)CCOCC2)n1
InChIInChI=1S/C16H18N2O2S/c1-12-4-2-6-14(17-12)18-15(19)16(7-9-20-10-8-16)13-5-3-11-21-13/h2-6,11H,7-10H2,1H3,(H,17,18,19)
InChIKeyILQFXAXIQXOFLT-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide (CID 12005993) is N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide is Cc1cccc(NC(=O)C2(c3cccs3)CCOCC2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is ILQFXAXIQXOFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-4-2-6-14(17-12)18-15(19)16(7-9-20-10-8-16)13-5-3-11-21-13/h2-6,11H,7-10H2,1H3,(H,17,18,19).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 12005993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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