1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

C19H16N4O2 — CID 142467408

IUPAC1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12
InChIInChI=1S/C19H16N4O2/c1-20-16-9-15(22-14-5-6-21-10-13(14)16)11-3-4-17-12(7-11)8-18(19(24)25)23(17)2/h3-10H,1-2H3,(H,20,22)(H,24,25)
InChIKeyJAFWJXKHRBCRAE-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.53
Rot. Bonds3

About 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (PubChem CID 142467408) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
PubChem CID142467408
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12
InChIInChI=1S/C19H16N4O2/c1-20-16-9-15(22-14-5-6-21-10-13(14)16)11-3-4-17-12(7-11)8-18(19(24)25)23(17)2/h3-10H,1-2H3,(H,20,22)(H,24,25)
InChIKeyJAFWJXKHRBCRAE-UHFFFAOYSA-N
XLogP3.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (CID 142467408) is 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is CNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.
What is the InChIKey of 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The InChIKey is JAFWJXKHRBCRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-20-16-9-15(22-14-5-6-21-10-13(14)16)11-3-4-17-12(7-11)8-18(19(24)25)23(17)2/h3-10H,1-2H3,(H,20,22)(H,24,25).
What are the key properties of 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is sourced from PubChem (CID 142467408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).