N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

C20H20N4O4 — CID 134797046

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)nc2cccnc21
InChIInChI=1S/C20H20N4O4/c1-12(2)10-24-18-14(4-3-7-21-18)23-17(20(24)26)19(25)22-9-13-5-6-15-16(8-13)28-11-27-15/h3-8,12H,9-11H2,1-2H3,(H,22,25)
InChIKeyXGQLAHINPINUIF-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.11
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134797046) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134797046
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)nc2cccnc21
InChIInChI=1S/C20H20N4O4/c1-12(2)10-24-18-14(4-3-7-21-18)23-17(20(24)26)19(25)22-9-13-5-6-15-16(8-13)28-11-27-15/h3-8,12H,9-11H2,1-2H3,(H,22,25)
InChIKeyXGQLAHINPINUIF-UHFFFAOYSA-N
XLogP2.11
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide
CID 53189895
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001024
N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
CID 107518056
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55342979
N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266452
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209450
2-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
CID 91818484
N-(1,3-benzodioxol-5-ylmethyl)-3-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 46328091
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
CID 4814027
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 4822942
N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324664

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 134797046) is N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is CC(C)Cn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)nc2cccnc21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is XGQLAHINPINUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12(2)10-24-18-14(4-3-7-21-18)23-17(20(24)26)19(25)22-9-13-5-6-15-16(8-13)28-11-27-15/h3-8,12H,9-11H2,1-2H3,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134797046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).