3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide

C21H30N4O4 — CID 10408806

IUPAC3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(=O)NC)cc2OC)nc1OC
InChIInChI=1S/C21H30N4O4/c1-8-14(9-2)24-19-21(29-7)25-18(12(3)23-19)17-15(27-5)10-13(20(26)22-4)11-16(17)28-6/h10-11,14H,8-9H2,1-7H3,(H,22,26)(H,23,24)
InChIKeyJVGPDPOXHIDNAC-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.44
Rot. Bonds9

About 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide

3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide (PubChem CID 10408806) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide
PubChem CID10408806
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(=O)NC)cc2OC)nc1OC
InChIInChI=1S/C21H30N4O4/c1-8-14(9-2)24-19-21(29-7)25-18(12(3)23-19)17-15(27-5)10-13(20(26)22-4)11-16(17)28-6/h10-11,14H,8-9H2,1-7H3,(H,22,26)(H,23,24)
InChIKeyJVGPDPOXHIDNAC-UHFFFAOYSA-N
XLogP3.44
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide (CID 10408806) is 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide is CCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(=O)NC)cc2OC)nc1OC.
What is the InChIKey of 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide?
The InChIKey is JVGPDPOXHIDNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-8-14(9-2)24-19-21(29-7)25-18(12(3)23-19)17-15(27-5)10-13(20(26)22-4)11-16(17)28-6/h10-11,14H,8-9H2,1-7H3,(H,22,26)(H,23,24).
What are the key properties of 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide?
3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide has a molecular weight of 402.50 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 10408806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).