N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide

C16H14N2O2S — CID 53149702

IUPACN-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccsc3)nc2)o1
InChIInChI=1S/C16H14N2O2S/c1-11-2-4-14(20-11)9-18-16(19)12-3-5-15(17-8-12)13-6-7-21-10-13/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyDEIMALMZDRXAGI-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.64
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide

N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 53149702) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID53149702
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccsc3)nc2)o1
InChIInChI=1S/C16H14N2O2S/c1-11-2-4-14(20-11)9-18-16(19)12-3-5-15(17-8-12)13-6-7-21-10-13/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyDEIMALMZDRXAGI-UHFFFAOYSA-N
XLogP3.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide (CID 53149702) is N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(-c3ccsc3)nc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is DEIMALMZDRXAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-2-4-14(20-11)9-18-16(19)12-3-5-15(17-8-12)13-6-7-21-10-13/h2-8,10H,9H2,1H3,(H,18,19).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 53149702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).