2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C22H22N4O3 — CID 25123666

IUPAC2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)c3ccccc3)nc21
InChIInChI=1S/C22H22N4O3/c1-4-26-19(23)17(21(28)24-3)18(27)16-11-10-15(25-20(16)26)12-13-22(2,29)14-8-6-5-7-9-14/h5-11,29H,4,23H2,1-3H3,(H,24,28)
InChIKeyNPWWLLGMMAXPGA-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 25123666) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID25123666
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)c3ccccc3)nc21
InChIInChI=1S/C22H22N4O3/c1-4-26-19(23)17(21(28)24-3)18(27)16-11-10-15(25-20(16)26)12-13-22(2,29)14-8-6-5-7-9-14/h5-11,29H,4,23H2,1-3H3,(H,24,28)
InChIKeyNPWWLLGMMAXPGA-UHFFFAOYSA-N
XLogP1.62
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 25123666) is 2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)c3ccccc3)nc21.
What is the InChIKey of 2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is NPWWLLGMMAXPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-4-26-19(23)17(21(28)24-3)18(27)16-11-10-15(25-20(16)26)12-13-22(2,29)14-8-6-5-7-9-14/h5-11,29H,4,23H2,1-3H3,(H,24,28).
What are the key properties of 2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-7-(3-hydroxy-3-phenylbut-1-ynyl)-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 25123666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).