1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide

C17H17N3O2S — CID 652310

IUPAC1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2cccs2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H17N3O2S/c1-3-20-10-14(17(22)18-9-12-5-4-8-23-12)15(21)13-7-6-11(2)19-16(13)20/h4-8,10H,3,9H2,1-2H3,(H,18,22)
InChIKeyTVOFAQAGKLDWIX-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.72
Rot. Bonds4

About 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 652310) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
PubChem CID652310
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2cccs2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H17N3O2S/c1-3-20-10-14(17(22)18-9-12-5-4-8-23-12)15(21)13-7-6-11(2)19-16(13)20/h4-8,10H,3,9H2,1-2H3,(H,18,22)
InChIKeyTVOFAQAGKLDWIX-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide (CID 652310) is 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCc2cccs2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is TVOFAQAGKLDWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-20-10-14(17(22)18-9-12-5-4-8-23-12)15(21)13-7-6-11(2)19-16(13)20/h4-8,10H,3,9H2,1-2H3,(H,18,22).
What are the key properties of 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 652310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).