N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide

C16H13N3O3S — CID 1245068

IUPACN-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)NCc1ccco1)c1cccnc1
InChIInChI=1S/C16H13N3O3S/c20-14(11-3-1-6-17-9-11)19-16-13(5-8-23-16)15(21)18-10-12-4-2-7-22-12/h1-9H,10H2,(H,18,21)(H,19,20)
InChIKeyCNSREVMDVXATDU-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.92
Rot. Bonds5

About N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide

N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 1245068) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide
PubChem CID1245068
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)NCc1ccco1)c1cccnc1
InChIInChI=1S/C16H13N3O3S/c20-14(11-3-1-6-17-9-11)19-16-13(5-8-23-16)15(21)18-10-12-4-2-7-22-12/h1-9H,10H2,(H,18,21)(H,19,20)
InChIKeyCNSREVMDVXATDU-UHFFFAOYSA-N
XLogP2.92
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide (CID 1245068) is N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide is O=C(Nc1sccc1C(=O)NCc1ccco1)c1cccnc1.
What is the InChIKey of N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is CNSREVMDVXATDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-14(11-3-1-6-17-9-11)19-16-13(5-8-23-16)15(21)18-10-12-4-2-7-22-12/h1-9H,10H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide?
N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylcarbamoyl)thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1245068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).