4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C12H14N4O2 — CID 12818628

IUPAC4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(N)=O)c(N)c2ccc(C)nc21
InChIInChI=1S/C12H14N4O2/c1-3-16-11-7(5-4-6(2)15-11)9(13)8(10(14)17)12(16)18/h4-5H,3,13H2,1-2H3,(H2,14,17)
InChIKeyYNBNDDKIQZNEOO-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.41
Rot. Bonds2

About 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 12818628) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID12818628
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(N)=O)c(N)c2ccc(C)nc21
InChIInChI=1S/C12H14N4O2/c1-3-16-11-7(5-4-6(2)15-11)9(13)8(10(14)17)12(16)18/h4-5H,3,13H2,1-2H3,(H2,14,17)
InChIKeyYNBNDDKIQZNEOO-UHFFFAOYSA-N
XLogP0.41
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 12818628) is 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(=O)c(C(N)=O)c(N)c2ccc(C)nc21.
What is the InChIKey of 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is YNBNDDKIQZNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-16-11-7(5-4-6(2)15-11)9(13)8(10(14)17)12(16)18/h4-5H,3,13H2,1-2H3,(H2,14,17).
What are the key properties of 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 12818628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).