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

C16H19ClN4O3 — CID 109276313

IUPACN-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(OC)c(Cl)c2)cn1
InChIInChI=1S/C16H19ClN4O3/c1-23-7-3-6-18-15-10-19-13(9-20-15)16(22)21-11-4-5-14(24-2)12(17)8-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyASBSTCCSTHVOJL-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.84
Rot. Bonds8

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

N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (PubChem CID 109276313) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
PubChem CID109276313
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(OC)c(Cl)c2)cn1
InChIInChI=1S/C16H19ClN4O3/c1-23-7-3-6-18-15-10-19-13(9-20-15)16(22)21-11-4-5-14(24-2)12(17)8-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyASBSTCCSTHVOJL-UHFFFAOYSA-N
XLogP2.84
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.84
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-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
N-(3-chloro-4-methoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283971
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935
N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276356
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
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-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (CID 109276313) is N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is COCCCNc1cnc(C(=O)Nc2ccc(OC)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The InChIKey is ASBSTCCSTHVOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-23-7-3-6-18-15-10-19-13(9-20-15)16(22)21-11-4-5-14(24-2)12(17)8-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 2.84, 8 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-(3-methoxypropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109276313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).