N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide

C18H13N3O2S — CID 4160799

IUPACN-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C18H13N3O2S/c22-18(20-9-14-2-1-6-23-14)16-4-3-12-8-19-10-15(17(12)21-16)13-5-7-24-11-13/h1-8,10-11H,9H2,(H,20,22)
InChIKeyLGRAKPMFKHJCTI-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.88
Rot. Bonds4

About N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide

N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide (PubChem CID 4160799) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
PubChem CID4160799
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC NameN-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C18H13N3O2S/c22-18(20-9-14-2-1-6-23-14)16-4-3-12-8-19-10-15(17(12)21-16)13-5-7-24-11-13/h1-8,10-11H,9H2,(H,20,22)
InChIKeyLGRAKPMFKHJCTI-UHFFFAOYSA-N
XLogP3.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide (CID 4160799) is N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide is O=C(NCc1ccco1)c1ccc2cncc(-c3ccsc3)c2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The InChIKey is LGRAKPMFKHJCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-18(20-9-14-2-1-6-23-14)16-4-3-12-8-19-10-15(17(12)21-16)13-5-7-24-11-13/h1-8,10-11H,9H2,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 4160799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).