2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C22H28N4O4 — CID 25123986

IUPAC2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(N)n(C2CCCCC2)c2nc(C#CC(C)(O)COC)ccc2c1=O
InChIInChI=1S/C22H28N4O4/c1-22(29,13-30-3)12-11-14-9-10-16-18(27)17(21(28)24-2)19(23)26(20(16)25-14)15-7-5-4-6-8-15/h9-10,15,29H,4-8,13,23H2,1-3H3,(H,24,28)
InChIKeyWFUPSNYDUZZHML-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.59
Rot. Bonds4

About 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 25123986) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID25123986
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(N)n(C2CCCCC2)c2nc(C#CC(C)(O)COC)ccc2c1=O
InChIInChI=1S/C22H28N4O4/c1-22(29,13-30-3)12-11-14-9-10-16-18(27)17(21(28)24-2)19(23)26(20(16)25-14)15-7-5-4-6-8-15/h9-10,15,29H,4-8,13,23H2,1-3H3,(H,24,28)
InChIKeyWFUPSNYDUZZHML-UHFFFAOYSA-N
XLogP1.59
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 25123986) is 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CNC(=O)c1c(N)n(C2CCCCC2)c2nc(C#CC(C)(O)COC)ccc2c1=O.
What is the InChIKey of 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is WFUPSNYDUZZHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-22(29,13-30-3)12-11-14-9-10-16-18(27)17(21(28)24-2)19(23)26(20(16)25-14)15-7-5-4-6-8-15/h9-10,15,29H,4-8,13,23H2,1-3H3,(H,24,28).
What are the key properties of 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 25123986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).