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

C20H22N4O2 — CID 53189896

IUPACN-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nc3cccnc3n(CC(C)C)c2=O)c1
InChIInChI=1S/C20H22N4O2/c1-13(2)12-24-18-16(8-5-9-21-18)23-17(20(24)26)19(25)22-11-15-7-4-6-14(3)10-15/h4-10,13H,11-12H2,1-3H3,(H,22,25)
InChIKeyRTIJVWRMNIZKPY-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.69
Rot. Bonds5

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

N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 53189896) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID53189896
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nc3cccnc3n(CC(C)C)c2=O)c1
InChIInChI=1S/C20H22N4O2/c1-13(2)12-24-18-16(8-5-9-21-18)23-17(20(24)26)19(25)22-11-15-7-4-6-14(3)10-15/h4-10,13H,11-12H2,1-3H3,(H,22,25)
InChIKeyRTIJVWRMNIZKPY-UHFFFAOYSA-N
XLogP2.69
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797046
4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 53189854
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321
4-(2-methylpropyl)-3-oxo-N-(2-thiophen-2-ylethyl)pyrido[2,3-b]pyrazine-2-carboxamide
CID 53189895
N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189852
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
4-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189785
3-[(3-methylphenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165886
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
4-ethyl-3-oxo-N-[(4-propoxyphenyl)methyl]pyrido[2,3-b]pyrazine-2-carboxamide
CID 53189841
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
3-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46277233

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 53189896) is N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is Cc1cccc(CNC(=O)c2nc3cccnc3n(CC(C)C)c2=O)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is RTIJVWRMNIZKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(2)12-24-18-16(8-5-9-21-18)23-17(20(24)26)19(25)22-11-15-7-4-6-14(3)10-15/h4-10,13H,11-12H2,1-3H3,(H,22,25).
What are the key properties of N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 53189896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).