N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide

C12H15N3O3 — CID 69062889

IUPACN,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide
SMILESCN(C)C(=O)c1c2c(cc(=O)n1C)C(=O)NCC2
InChIInChI=1S/C12H15N3O3/c1-14(2)12(18)10-7-4-5-13-11(17)8(7)6-9(16)15(10)3/h6H,4-5H2,1-3H3,(H,13,17)
InChIKeyXEKPTGDLVAYCLR-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.63
Rot. Bonds1

About N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide

N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide (PubChem CID 69062889) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide
PubChem CID69062889
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide
SMILESCN(C)C(=O)c1c2c(cc(=O)n1C)C(=O)NCC2
InChIInChI=1S/C12H15N3O3/c1-14(2)12(18)10-7-4-5-13-11(17)8(7)6-9(16)15(10)3/h6H,4-5H2,1-3H3,(H,13,17)
InChIKeyXEKPTGDLVAYCLR-UHFFFAOYSA-N
XLogP-0.63
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide?
The IUPAC name of N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide (CID 69062889) is N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide?
The canonical SMILES for N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide is CN(C)C(=O)c1c2c(cc(=O)n1C)C(=O)NCC2.
What is the InChIKey of N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide?
The InChIKey is XEKPTGDLVAYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-14(2)12(18)10-7-4-5-13-11(17)8(7)6-9(16)15(10)3/h6H,4-5H2,1-3H3,(H,13,17).
What are the key properties of N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide?
N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-6H-2,6-naphthyridine-1-carboxamide is sourced from PubChem (CID 69062889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).