3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine

C24H36N4O2 — CID 23595047

IUPAC3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(OC)cc2CN2CCCCC2)nc1OC
InChIInChI=1S/C24H36N4O2/c1-6-19(7-2)26-23-24(30-5)27-22(17(3)25-23)21-12-11-20(29-4)15-18(21)16-28-13-9-8-10-14-28/h11-12,15,19H,6-10,13-14,16H2,1-5H3,(H,25,26)
InChIKeyWFOVAQBLCJUZBY-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.06
Rot. Bonds9

About 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine

3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 23595047) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID23595047
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(OC)cc2CN2CCCCC2)nc1OC
InChIInChI=1S/C24H36N4O2/c1-6-19(7-2)26-23-24(30-5)27-22(17(3)25-23)21-12-11-20(29-4)15-18(21)16-28-13-9-8-10-14-28/h11-12,15,19H,6-10,13-14,16H2,1-5H3,(H,25,26)
InChIKeyWFOVAQBLCJUZBY-UHFFFAOYSA-N
XLogP5.06
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-5-[4-methoxy-2-(morpholin-4-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595048
N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine
CID 91530956
5-(2-chloro-4-ethoxyphenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23595016
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 22249149
[2-(azepan-1-ylmethyl)-4-methoxyphenyl]boronic acid
CID 65323323
1-[(2-bromo-4-methoxyphenyl)methyl]pyrrolidine
CID 117220863
2-[2-(azepan-1-ylmethyl)-4-methoxyphenyl]ethanamine
CID 170868855
N,3,5-trimethoxy-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-N-methylbenzamide
CID 10477928
5-[2-chloro-4-(trifluoromethyl)phenyl]-3,6-dimethoxy-N-pentan-3-ylpyrazin-2-amine
CID 10179338
3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 159209645
6-methoxy-2-phenyl-5-(piperidin-1-ylmethyl)pyridin-3-ol
CID 1402888

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 23595047) is 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2ccc(OC)cc2CN2CCCCC2)nc1OC.
What is the InChIKey of 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is WFOVAQBLCJUZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-6-19(7-2)26-23-24(30-5)27-22(17(3)25-23)21-12-11-20(29-4)15-18(21)16-28-13-9-8-10-14-28/h11-12,15,19H,6-10,13-14,16H2,1-5H3,(H,25,26).
What are the key properties of 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine?
3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 412.58 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 23595047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).