N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide

C21H20N6O2 — CID 71841171

IUPACN-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(Cn2c(=O)n(CCNC(=O)c3cnccn3)c3ncccc32)cc1
InChIInChI=1S/C21H20N6O2/c1-15-4-6-16(7-5-15)14-27-18-3-2-8-24-19(18)26(21(27)29)12-11-25-20(28)17-13-22-9-10-23-17/h2-10,13H,11-12,14H2,1H3,(H,25,28)
InChIKeyAAMBYMXHYORCQU-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide

N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 71841171) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
PubChem CID71841171
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(Cn2c(=O)n(CCNC(=O)c3cnccn3)c3ncccc32)cc1
InChIInChI=1S/C21H20N6O2/c1-15-4-6-16(7-5-15)14-27-18-3-2-8-24-19(18)26(21(27)29)12-11-25-20(28)17-13-22-9-10-23-17/h2-10,13H,11-12,14H2,1H3,(H,25,28)
InChIKeyAAMBYMXHYORCQU-UHFFFAOYSA-N
XLogP1.77
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide (CID 71841171) is N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide is Cc1ccc(Cn2c(=O)n(CCNC(=O)c3cnccn3)c3ncccc32)cc1.
What is the InChIKey of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is AAMBYMXHYORCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-15-4-6-16(7-5-15)14-27-18-3-2-8-24-19(18)26(21(27)29)12-11-25-20(28)17-13-22-9-10-23-17/h2-10,13H,11-12,14H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide?
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71841171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).