8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid

C16H13N3O2 — CID 69101444

IUPAC8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid
SMILESCc1ccc(Nc2cncc3ccc(C(=O)O)nc23)cc1
InChIInChI=1S/C16H13N3O2/c1-10-2-5-12(6-3-10)18-14-9-17-8-11-4-7-13(16(20)21)19-15(11)14/h2-9,18H,1H3,(H,20,21)
InChIKeyXMRMOAWGMSVSSB-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.38
Rot. Bonds3

About 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid

8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid (PubChem CID 69101444) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid
PubChem CID69101444
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid
SMILESCc1ccc(Nc2cncc3ccc(C(=O)O)nc23)cc1
InChIInChI=1S/C16H13N3O2/c1-10-2-5-12(6-3-10)18-14-9-17-8-11-4-7-13(16(20)21)19-15(11)14/h2-9,18H,1H3,(H,20,21)
InChIKeyXMRMOAWGMSVSSB-UHFFFAOYSA-N
XLogP3.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid (CID 69101444) is 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid is Cc1ccc(Nc2cncc3ccc(C(=O)O)nc23)cc1.
What is the InChIKey of 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is XMRMOAWGMSVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-2-5-12(6-3-10)18-14-9-17-8-11-4-7-13(16(20)21)19-15(11)14/h2-9,18H,1H3,(H,20,21).
What are the key properties of 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid?
8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylanilino)-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 69101444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).