N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

C13H16N4O3 — CID 53189744

IUPACN-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1nc2cccnc2n(C)c1=O
InChIInChI=1S/C13H16N4O3/c1-17-11-9(5-3-6-14-11)16-10(13(17)19)12(18)15-7-4-8-20-2/h3,5-6H,4,7-8H2,1-2H3,(H,15,18)
InChIKeyLSNWECAAYACSDC-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.09
Rot. Bonds5

About N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 53189744) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID53189744
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1nc2cccnc2n(C)c1=O
InChIInChI=1S/C13H16N4O3/c1-17-11-9(5-3-6-14-11)16-10(13(17)19)12(18)15-7-4-8-20-2/h3,5-6H,4,7-8H2,1-2H3,(H,15,18)
InChIKeyLSNWECAAYACSDC-UHFFFAOYSA-N
XLogP0.09
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 53189744) is N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is COCCCNC(=O)c1nc2cccnc2n(C)c1=O.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is LSNWECAAYACSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-17-11-9(5-3-6-14-11)16-10(13(17)19)12(18)15-7-4-8-20-2/h3,5-6H,4,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 53189744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).