[3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine

C23H27N5O2 — CID 164616014

IUPAC[3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine
SMILESCOc1cc(CN)ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccncc1
InChIInChI=1S/C23H27N5O2/c1-29-20-12-17(13-24)2-3-19(20)23-22(18-6-10-26-11-7-18)27-14-21(28-23)30-15-16-4-8-25-9-5-16/h2-3,6-7,10-12,14,16,25H,4-5,8-9,13,15,24H2,1H3
InChIKeyKNDVCIFFVMVFIC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.05
Rot. Bonds7

About [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine

[3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine (PubChem CID 164616014) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine
PubChem CID164616014
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine
SMILESCOc1cc(CN)ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccncc1
InChIInChI=1S/C23H27N5O2/c1-29-20-12-17(13-24)2-3-19(20)23-22(18-6-10-26-11-7-18)27-14-21(28-23)30-15-16-4-8-25-9-5-16/h2-3,6-7,10-12,14,16,25H,4-5,8-9,13,15,24H2,1H3
InChIKeyKNDVCIFFVMVFIC-UHFFFAOYSA-N
XLogP3.05
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine (CID 164616014) is [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine is COc1cc(CN)ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccncc1.
What is the InChIKey of [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine?
The InChIKey is KNDVCIFFVMVFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-29-20-12-17(13-24)2-3-19(20)23-22(18-6-10-26-11-7-18)27-14-21(28-23)30-15-16-4-8-25-9-5-16/h2-3,6-7,10-12,14,16,25H,4-5,8-9,13,15,24H2,1H3.
What are the key properties of [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine?
[3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine has a molecular weight of 405.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 164616014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).