2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide

C23H28N6O4 — CID 171762831

IUPAC2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide
SMILESCONC(=O)c1cc2cnc(N3CCOCC3)cc2nc1OC1CCC(n2ccnc2)CC1
InChIInChI=1S/C23H28N6O4/c1-31-27-22(30)19-12-16-14-25-21(28-8-10-32-11-9-28)13-20(16)26-23(19)33-18-4-2-17(3-5-18)29-7-6-24-15-29/h6-7,12-15,17-18H,2-5,8-11H2,1H3,(H,27,30)
InChIKeyHYSISTAPLKMCKT-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.52
Rot. Bonds6

About 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide

2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide (PubChem CID 171762831) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide
PubChem CID171762831
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide
SMILESCONC(=O)c1cc2cnc(N3CCOCC3)cc2nc1OC1CCC(n2ccnc2)CC1
InChIInChI=1S/C23H28N6O4/c1-31-27-22(30)19-12-16-14-25-21(28-8-10-32-11-9-28)13-20(16)26-23(19)33-18-4-2-17(3-5-18)29-7-6-24-15-29/h6-7,12-15,17-18H,2-5,8-11H2,1H3,(H,27,30)
InChIKeyHYSISTAPLKMCKT-UHFFFAOYSA-N
XLogP2.52
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide (CID 171762831) is 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide is CONC(=O)c1cc2cnc(N3CCOCC3)cc2nc1OC1CCC(n2ccnc2)CC1.
What is the InChIKey of 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide?
The InChIKey is HYSISTAPLKMCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-31-27-22(30)19-12-16-14-25-21(28-8-10-32-11-9-28)13-20(16)26-23(19)33-18-4-2-17(3-5-18)29-7-6-24-15-29/h6-7,12-15,17-18H,2-5,8-11H2,1H3,(H,27,30).
What are the key properties of 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide?
2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 171762831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).