N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide

C15H17ClN4O3 — CID 109275950

IUPACN-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
SMILESCOCCNc1cnc(C(=O)Nc2ccc(OC)c(Cl)c2)cn1
InChIInChI=1S/C15H17ClN4O3/c1-22-6-5-17-14-9-18-12(8-19-14)15(21)20-10-3-4-13(23-2)11(16)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyPKNJGPDTONGZMC-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.45
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide (PubChem CID 109275950) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
PubChem CID109275950
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
SMILESCOCCNc1cnc(C(=O)Nc2ccc(OC)c(Cl)c2)cn1
InChIInChI=1S/C15H17ClN4O3/c1-22-6-5-17-14-9-18-12(8-19-14)15(21)20-10-3-4-13(23-2)11(16)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyPKNJGPDTONGZMC-UHFFFAOYSA-N
XLogP2.45
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313
N-(3-chloro-4-methoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283971
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275603
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293298
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
5-(2-methoxyethylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109275954
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935
N-(2,5-dichlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109276006
5-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)pyrazine-2-carboxamide
CID 107374487

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide (CID 109275950) is N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide is COCCNc1cnc(C(=O)Nc2ccc(OC)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide?
The InChIKey is PKNJGPDTONGZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-22-6-5-17-14-9-18-12(8-19-14)15(21)20-10-3-4-13(23-2)11(16)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109275950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).