N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide

C20H19ClN4O2 — CID 109282542

IUPACN-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)Nc3cccc(Cl)c3C)cn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13-16(21)4-3-5-17(13)25-20(26)18-11-24-19(12-22-18)23-10-14-6-8-15(27-2)9-7-14/h3-9,11-12H,10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGOCITGPQHBRACP-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.31
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide

N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109282542) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109282542
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)Nc3cccc(Cl)c3C)cn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13-16(21)4-3-5-17(13)25-20(26)18-11-24-19(12-22-18)23-10-14-6-8-15(27-2)9-7-14/h3-9,11-12H,10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGOCITGPQHBRACP-UHFFFAOYSA-N
XLogP4.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282537
N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306395
N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280745
N-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109292936
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282564
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
5-(benzylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109279891
N-(4-acetylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282562
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
[5-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273528
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide (CID 109282542) is N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide is COc1ccc(CNc2cnc(C(=O)Nc3cccc(Cl)c3C)cn2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is GOCITGPQHBRACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-16(21)4-3-5-17(13)25-20(26)18-11-24-19(12-22-18)23-10-14-6-8-15(27-2)9-7-14/h3-9,11-12H,10H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109282542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).