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

C22H32N4O5 — CID 10477928

IUPACN,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(=O)N(C)OC)cc2OC)nc1OC
InChIInChI=1S/C22H32N4O5/c1-9-15(10-2)24-20-21(30-7)25-19(13(3)23-20)18-16(28-5)11-14(12-17(18)29-6)22(27)26(4)31-8/h11-12,15H,9-10H2,1-8H3,(H,23,24)
InChIKeyGTSWMZMERAFAIK-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.71
Rot. Bonds10

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

N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide (PubChem CID 10477928) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide
PubChem CID10477928
Molecular FormulaC22H32N4O5
Molecular Weight432.52 g/mol
Exact Mass432.24
IUPAC NameN,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(=O)N(C)OC)cc2OC)nc1OC
InChIInChI=1S/C22H32N4O5/c1-9-15(10-2)24-20-21(30-7)25-19(13(3)23-20)18-16(28-5)11-14(12-17(18)29-6)22(27)26(4)31-8/h11-12,15H,9-10H2,1-8H3,(H,23,24)
InChIKeyGTSWMZMERAFAIK-UHFFFAOYSA-N
XLogP3.71
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide?
The IUPAC name of N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide (CID 10477928) is N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide?
The canonical SMILES for N,3,5-trimethoxy-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)N(C)OC)cc2OC)nc1OC.
What is the InChIKey of N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide?
The InChIKey is GTSWMZMERAFAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5/c1-9-15(10-2)24-20-21(30-7)25-19(13(3)23-20)18-16(28-5)11-14(12-17(18)29-6)22(27)26(4)31-8/h11-12,15H,9-10H2,1-8H3,(H,23,24).
What are the key properties of N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide?
N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide has a molecular weight of 432.52 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 10477928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).