5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide

C18H24N4O4 — CID 109273091

IUPAC5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(NCC(C)C)cn2)cc(OC)c1OC
InChIInChI=1S/C18H24N4O4/c1-11(2)8-20-16-10-19-13(9-21-16)18(23)22-12-6-14(24-3)17(26-5)15(7-12)25-4/h6-7,9-11H,8H2,1-5H3,(H,20,21)(H,22,23)
InChIKeyRCRPTDBJIWXWST-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.82
Rot. Bonds8

About 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide

5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109273091) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109273091
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(NCC(C)C)cn2)cc(OC)c1OC
InChIInChI=1S/C18H24N4O4/c1-11(2)8-20-16-10-19-13(9-21-16)18(23)22-12-6-14(24-3)17(26-5)15(7-12)25-4/h6-7,9-11H,8H2,1-5H3,(H,20,21)(H,22,23)
InChIKeyRCRPTDBJIWXWST-UHFFFAOYSA-N
XLogP2.82
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109151861
N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109290089
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273040
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273098
N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273070
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109263606
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide (CID 109273091) is 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide is COc1cc(NC(=O)c2cnc(NCC(C)C)cn2)cc(OC)c1OC.
What is the InChIKey of 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is RCRPTDBJIWXWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11(2)8-20-16-10-19-13(9-21-16)18(23)22-12-6-14(24-3)17(26-5)15(7-12)25-4/h6-7,9-11H,8H2,1-5H3,(H,20,21)(H,22,23).
What are the key properties of 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide?
5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109273091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).