2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide

C17H23N7O — CID 53189364

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCc3cnccn3)CC2)n1
InChIInChI=1S/C17H23N7O/c1-18-17-21-5-2-15(23-17)24-8-3-13(4-9-24)10-16(25)22-12-14-11-19-6-7-20-14/h2,5-7,11,13H,3-4,8-10,12H2,1H3,(H,22,25)(H,18,21,23)
InChIKeySNEGIDNGACDONV-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.23
Rot. Bonds6

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 53189364) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID53189364
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCc3cnccn3)CC2)n1
InChIInChI=1S/C17H23N7O/c1-18-17-21-5-2-15(23-17)24-8-3-13(4-9-24)10-16(25)22-12-14-11-19-6-7-20-14/h2,5-7,11,13H,3-4,8-10,12H2,1H3,(H,22,25)(H,18,21,23)
InChIKeySNEGIDNGACDONV-UHFFFAOYSA-N
XLogP1.23
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide (CID 53189364) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide is CNc1nccc(N2CCC(CC(=O)NCc3cnccn3)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is SNEGIDNGACDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-18-17-21-5-2-15(23-17)24-8-3-13(4-9-24)10-16(25)22-12-14-11-19-6-7-20-14/h2,5-7,11,13H,3-4,8-10,12H2,1H3,(H,22,25)(H,18,21,23).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 53189364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).