N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide

C22H24N4O3 — CID 109282251

IUPACN-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccccc2OC(C)C)cn1
InChIInChI=1S/C22H24N4O3/c1-15(2)29-20-11-7-5-9-17(20)26-21-14-23-18(13-24-21)22(27)25-12-16-8-4-6-10-19(16)28-3/h4-11,13-15H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyKBETUBUEKJBQLF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.95
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide (PubChem CID 109282251) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
PubChem CID109282251
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccccc2OC(C)C)cn1
InChIInChI=1S/C22H24N4O3/c1-15(2)29-20-11-7-5-9-17(20)26-21-14-23-18(13-24-21)22(27)25-12-16-8-4-6-10-19(16)28-3/h4-11,13-15H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyKBETUBUEKJBQLF-UHFFFAOYSA-N
XLogP3.95
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)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

5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282232
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282254
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
5-(2,6-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282275
N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109287277
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282276
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272757
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109190227
N-(furan-2-ylmethyl)-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279400
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide (CID 109282251) is N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1cnc(Nc2ccccc2OC(C)C)cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The InChIKey is KBETUBUEKJBQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(2)29-20-11-7-5-9-17(20)26-21-14-23-18(13-24-21)22(27)25-12-16-8-4-6-10-19(16)28-3/h4-11,13-15H,12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109282251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).