6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid

C13H18N2O2 — CID 116533203

IUPAC6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
SMILESCCCc1nc2c(cc1C(=O)O)CN(C)CC2
InChIInChI=1S/C13H18N2O2/c1-3-4-12-10(13(16)17)7-9-8-15(2)6-5-11(9)14-12/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyOFIVJHFQYADEQI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.72
Rot. Bonds3

About 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid

6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid (PubChem CID 116533203) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
PubChem CID116533203
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
SMILESCCCc1nc2c(cc1C(=O)O)CN(C)CC2
InChIInChI=1S/C13H18N2O2/c1-3-4-12-10(13(16)17)7-9-8-15(2)6-5-11(9)14-12/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyOFIVJHFQYADEQI-UHFFFAOYSA-N
XLogP1.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid (CID 116533203) is 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid is CCCc1nc2c(cc1C(=O)O)CN(C)CC2.
What is the InChIKey of 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is OFIVJHFQYADEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-4-12-10(13(16)17)7-9-8-15(2)6-5-11(9)14-12/h7H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid?
6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 116533203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).