5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid

C20H18N4O2 — CID 135372767

IUPAC5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid
SMILESCCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12
InChIInChI=1S/C20H18N4O2/c1-3-22-17-10-16(23-15-6-7-21-11-14(15)17)12-4-5-18-13(8-12)9-19(20(25)26)24(18)2/h4-11H,3H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyYVZGJJTZDGWIGL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.92
Rot. Bonds4

About 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid

5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid (PubChem CID 135372767) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid
PubChem CID135372767
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid
SMILESCCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12
InChIInChI=1S/C20H18N4O2/c1-3-22-17-10-16(23-15-6-7-21-11-14(15)17)12-4-5-18-13(8-12)9-19(20(25)26)24(18)2/h4-11H,3H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyYVZGJJTZDGWIGL-UHFFFAOYSA-N
XLogP3.92
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid?
The IUPAC name of 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid (CID 135372767) is 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid?
The canonical SMILES for 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid is CCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.
What is the InChIKey of 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid?
The InChIKey is YVZGJJTZDGWIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-3-22-17-10-16(23-15-6-7-21-11-14(15)17)12-4-5-18-13(8-12)9-19(20(25)26)24(18)2/h4-11H,3H2,1-2H3,(H,22,23)(H,25,26).
What are the key properties of 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid?
5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 135372767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).