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

C17H20N4O4 — CID 25123662

IUPAC2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)CO)nc21
InChIInChI=1S/C17H20N4O4/c1-4-21-14(18)12(16(24)19-3)13(23)11-6-5-10(20-15(11)21)7-8-17(2,25)9-22/h5-6,22,25H,4,9,18H2,1-3H3,(H,19,24)
InChIKeyMVWHUIXRJVHKNS-UHFFFAOYSA-N
MW344.37 g/mol
LogP-0.55
Rot. Bonds3

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

2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 25123662) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID25123662
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)CO)nc21
InChIInChI=1S/C17H20N4O4/c1-4-21-14(18)12(16(24)19-3)13(23)11-6-5-10(20-15(11)21)7-8-17(2,25)9-22/h5-6,22,25H,4,9,18H2,1-3H3,(H,19,24)
InChIKeyMVWHUIXRJVHKNS-UHFFFAOYSA-N
XLogP-0.55
TPSA130.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
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-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 25123662) is 2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)CO)nc21.
What is the InChIKey of 2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is MVWHUIXRJVHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-4-21-14(18)12(16(24)19-3)13(23)11-6-5-10(20-15(11)21)7-8-17(2,25)9-22/h5-6,22,25H,4,9,18H2,1-3H3,(H,19,24).
What are the key properties of 2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of -0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3,4-dihydroxy-3-methylbut-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 25123662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).