6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid

C15H17ClN4O2 — CID 58379513

IUPAC6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESCN1CCC(Nc2c(C(=O)O)cnc3ccc(Cl)nc23)CC1
InChIInChI=1S/C15H17ClN4O2/c1-20-6-4-9(5-7-20)18-13-10(15(21)22)8-17-11-2-3-12(16)19-14(11)13/h2-3,8-9H,4-7H2,1H3,(H,17,18)(H,21,22)
InChIKeyCIGQMAZVKAOJNL-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.49
Rot. Bonds3

About 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid

6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid (PubChem CID 58379513) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid
PubChem CID58379513
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESCN1CCC(Nc2c(C(=O)O)cnc3ccc(Cl)nc23)CC1
InChIInChI=1S/C15H17ClN4O2/c1-20-6-4-9(5-7-20)18-13-10(15(21)22)8-17-11-2-3-12(16)19-14(11)13/h2-3,8-9H,4-7H2,1H3,(H,17,18)(H,21,22)
InChIKeyCIGQMAZVKAOJNL-UHFFFAOYSA-N
XLogP2.49
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid (CID 58379513) is 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid is CN1CCC(Nc2c(C(=O)O)cnc3ccc(Cl)nc23)CC1.
What is the InChIKey of 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is CIGQMAZVKAOJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-20-6-4-9(5-7-20)18-13-10(15(21)22)8-17-11-2-3-12(16)19-14(11)13/h2-3,8-9H,4-7H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 320.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 58379513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).