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

C15H16ClN3O3 — CID 58379650

IUPAC6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(Cl)nc2c1NC1CCC(O)CC1
InChIInChI=1S/C15H16ClN3O3/c16-12-6-5-11-14(19-12)13(10(7-17-11)15(21)22)18-8-1-3-9(20)4-2-8/h5-9,20H,1-4H2,(H,17,18)(H,21,22)
InChIKeyQUIWECZRJJYCDF-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.70
Rot. Bonds3

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

6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid (PubChem CID 58379650) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid
PubChem CID58379650
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(Cl)nc2c1NC1CCC(O)CC1
InChIInChI=1S/C15H16ClN3O3/c16-12-6-5-11-14(19-12)13(10(7-17-11)15(21)22)18-8-1-3-9(20)4-2-8/h5-9,20H,1-4H2,(H,17,18)(H,21,22)
InChIKeyQUIWECZRJJYCDF-UHFFFAOYSA-N
XLogP2.70
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.70
H-Bond Donors ≤ 53
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-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid (CID 58379650) is 6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid is O=C(O)c1cnc2ccc(Cl)nc2c1NC1CCC(O)CC1.
What is the InChIKey of 6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is QUIWECZRJJYCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c16-12-6-5-11-14(19-12)13(10(7-17-11)15(21)22)18-8-1-3-9(20)4-2-8/h5-9,20H,1-4H2,(H,17,18)(H,21,22).
What are the key properties of 6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid?
6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 321.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 58379650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).