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

C20H22N4O3S — CID 69101500

IUPAC8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid
SMILESCCN(CC)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)O)nc23)s1
InChIInChI=1S/C20H22N4O3S/c1-3-24(4-2)10-9-22-19(25)17-8-7-16(28-17)14-12-21-11-13-5-6-15(20(26)27)23-18(13)14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,25)(H,26,27)
InChIKeySUOBGSBBEADNBE-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.13
Rot. Bonds8

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

8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid (PubChem CID 69101500) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid
PubChem CID69101500
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid
SMILESCCN(CC)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)O)nc23)s1
InChIInChI=1S/C20H22N4O3S/c1-3-24(4-2)10-9-22-19(25)17-8-7-16(28-17)14-12-21-11-13-5-6-15(20(26)27)23-18(13)14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,25)(H,26,27)
InChIKeySUOBGSBBEADNBE-UHFFFAOYSA-N
XLogP3.13
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid (CID 69101500) is 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid is CCN(CC)CCNC(=O)c1ccc(-c2cncc3ccc(C(=O)O)nc23)s1.
What is the InChIKey of 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is SUOBGSBBEADNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-24(4-2)10-9-22-19(25)17-8-7-16(28-17)14-12-21-11-13-5-6-15(20(26)27)23-18(13)14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,25)(H,26,27).
What are the key properties of 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid?
8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 398.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[2-(diethylamino)ethylcarbamoyl]thiophen-2-yl]-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 69101500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).