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

C21H20N4O2 — CID 142467241

IUPAC1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCCCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12
InChIInChI=1S/C21H20N4O2/c1-3-7-23-18-11-17(24-16-6-8-22-12-15(16)18)13-4-5-19-14(9-13)10-20(21(26)27)25(19)2/h4-6,8-12H,3,7H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyPYSAYHKCYDEQKB-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.31
Rot. Bonds5

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

1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (PubChem CID 142467241) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
PubChem CID142467241
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCCCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12
InChIInChI=1S/C21H20N4O2/c1-3-7-23-18-11-17(24-16-6-8-22-12-15(16)18)13-4-5-19-14(9-13)10-20(21(26)27)25(19)2/h4-6,8-12H,3,7H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyPYSAYHKCYDEQKB-UHFFFAOYSA-N
XLogP4.31
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.31
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-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (CID 142467241) is 1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is CCCNc1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.
What is the InChIKey of 1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The InChIKey is PYSAYHKCYDEQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-7-23-18-11-17(24-16-6-8-22-12-15(16)18)13-4-5-19-14(9-13)10-20(21(26)27)25(19)2/h4-6,8-12H,3,7H2,1-2H3,(H,23,24)(H,26,27).
What are the key properties of 1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid has a molecular weight of 360.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(propylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is sourced from PubChem (CID 142467241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).