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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Related Compounds

4-cyclopropyl-N-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797187
N-(cyclopropylmethyl)-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798713
N-butan-2-yl-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53016720
1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 53021644
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393924
methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
2-[3-(4-methoxybutyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79289245
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127

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).