2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

C18H26N6O — CID 45488757

IUPAC2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOc1cncc(-c2cncc(N3CCN(CCN(C)C)CC3)n2)c1
InChIInChI=1S/C18H26N6O/c1-22(2)4-5-23-6-8-24(9-7-23)18-14-20-13-17(21-18)15-10-16(25-3)12-19-11-15/h10-14H,4-9H2,1-3H3
InChIKeyMPIWVHFBOXRNRC-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.23
Rot. Bonds6

About 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 45488757) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID45488757
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOc1cncc(-c2cncc(N3CCN(CCN(C)C)CC3)n2)c1
InChIInChI=1S/C18H26N6O/c1-22(2)4-5-23-6-8-24(9-7-23)18-14-20-13-17(21-18)15-10-16(25-3)12-19-11-15/h10-14H,4-9H2,1-3H3
InChIKeyMPIWVHFBOXRNRC-UHFFFAOYSA-N
XLogP1.23
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

Rbi 257
CID 5041
U 101958
CID 5615
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
US10093664, Example 3
CID 134590089
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
3-ethoxy-5-methyl-N-(6-methylpyridin-2-yl)pyridin-2-amine
CID 11299520
(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767
(3-Benzyloxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11369816
5''-Ethoxy-6''-(6-methyl-pyridin-2-ylamino)-[3,3'']bipyridinyl-2-carbonitrile
CID 11370949

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 45488757) is 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is COc1cncc(-c2cncc(N3CCN(CCN(C)C)CC3)n2)c1.
What is the InChIKey of 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is MPIWVHFBOXRNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22(2)4-5-23-6-8-24(9-7-23)18-14-20-13-17(21-18)15-10-16(25-3)12-19-11-15/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 342.45 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 45488757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).