N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide

C16H14N2O3S — CID 71691389

IUPACN-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccc(=O)[nH]c3)s2)o1
InChIInChI=1S/C16H14N2O3S/c1-10-2-4-12(21-10)9-18-16(20)14-6-5-13(22-14)11-3-7-15(19)17-8-11/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHWPNSTFHEZKKQO-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.93
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide

N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 71691389) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide
PubChem CID71691389
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3ccc(=O)[nH]c3)s2)o1
InChIInChI=1S/C16H14N2O3S/c1-10-2-4-12(21-10)9-18-16(20)14-6-5-13(22-14)11-3-7-15(19)17-8-11/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHWPNSTFHEZKKQO-UHFFFAOYSA-N
XLogP2.93
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-oxo-1H-pyridin-3-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 71690295
5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
CID 2052637
N-[(5-methylfuran-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70750896
5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46087404
5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 38404678
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46862747

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide (CID 71691389) is N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(-c3ccc(=O)[nH]c3)s2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide?
The InChIKey is HWPNSTFHEZKKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-10-2-4-12(21-10)9-18-16(20)14-6-5-13(22-14)11-3-7-15(19)17-8-11/h2-8H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71691389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).