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

C18H17N3O2S — CID 58979589

IUPACN-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C18H17N3O2S/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/h3-5,7-8,10-11,14H,1-2,6,9H2,(H,20,22)
InChIKeyIGWBVGGYKGAODF-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.27
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide (PubChem CID 58979589) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
PubChem CID58979589
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C18H17N3O2S/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/h3-5,7-8,10-11,14H,1-2,6,9H2,(H,20,22)
InChIKeyIGWBVGGYKGAODF-UHFFFAOYSA-N
XLogP3.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149661
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 99872802
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-[[(2S)-oxolan-2-yl]methyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92570801
6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid
CID 126437683
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide (CID 58979589) is N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide is O=C(NCC1CCCO1)c1ccc2cncc(-c3ccsc3)c2n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
The InChIKey is IGWBVGGYKGAODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/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/h3-5,7-8,10-11,14H,1-2,6,9H2,(H,20,22).
What are the key properties of N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide?
N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 58979589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).