4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide

C17H20N2O2S — CID 91629735

IUPAC4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(c2cccnc2)C2CCOCC2)c1
InChIInChI=1S/C17H20N2O2S/c1-12-9-15(22-11-12)17(20)19-16(13-4-7-21-8-5-13)14-3-2-6-18-10-14/h2-3,6,9-11,13,16H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyUADHVFHDDSLQTB-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.35
Rot. Bonds4

About 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide

4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 91629735) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID91629735
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(c2cccnc2)C2CCOCC2)c1
InChIInChI=1S/C17H20N2O2S/c1-12-9-15(22-11-12)17(20)19-16(13-4-7-21-8-5-13)14-3-2-6-18-10-14/h2-3,6,9-11,13,16H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyUADHVFHDDSLQTB-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide (CID 91629735) is 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide is Cc1csc(C(=O)NC(c2cccnc2)C2CCOCC2)c1.
What is the InChIKey of 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is UADHVFHDDSLQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-9-15(22-11-12)17(20)19-16(13-4-7-21-8-5-13)14-3-2-6-18-10-14/h2-3,6,9-11,13,16H,4-5,7-8H2,1H3,(H,19,20).
What are the key properties of 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide?
4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91629735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).