8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid

C18H18N4O3S — CID 69101705

IUPAC8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid
SMILESCN(C)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)O)nc23)s1
InChIInChI=1S/C18H18N4O3S/c1-22(2)8-7-20-17(23)15-6-5-14(26-15)12-10-19-9-11-3-4-13(18(24)25)21-16(11)12/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyLCIMINWVYUXPHE-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.35
Rot. Bonds6

About 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid

8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid (PubChem CID 69101705) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid
PubChem CID69101705
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid
SMILESCN(C)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)O)nc23)s1
InChIInChI=1S/C18H18N4O3S/c1-22(2)8-7-20-17(23)15-6-5-14(26-15)12-10-19-9-11-3-4-13(18(24)25)21-16(11)12/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyLCIMINWVYUXPHE-UHFFFAOYSA-N
XLogP2.35
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid (CID 69101705) is 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid is CN(C)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)O)nc23)s1.
What is the InChIKey of 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is LCIMINWVYUXPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-22(2)8-7-20-17(23)15-6-5-14(26-15)12-10-19-9-11-3-4-13(18(24)25)21-16(11)12/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid?
8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[2-(dimethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 69101705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).