3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide

C19H27N7O — CID 53174447

IUPAC3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide
SMILESCCNc1cc(N2CCCC(CCC(=O)NCc3cnccn3)C2)ncn1
InChIInChI=1S/C19H27N7O/c1-2-21-17-10-18(25-14-24-17)26-9-3-4-15(13-26)5-6-19(27)23-12-16-11-20-7-8-22-16/h7-8,10-11,14-15H,2-6,9,12-13H2,1H3,(H,23,27)(H,21,24,25)
InChIKeyUVFGXLVNTKAZEQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.01
Rot. Bonds8

About 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 53174447) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID53174447
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide
SMILESCCNc1cc(N2CCCC(CCC(=O)NCc3cnccn3)C2)ncn1
InChIInChI=1S/C19H27N7O/c1-2-21-17-10-18(25-14-24-17)26-9-3-4-15(13-26)5-6-19(27)23-12-16-11-20-7-8-22-16/h7-8,10-11,14-15H,2-6,9,12-13H2,1H3,(H,23,27)(H,21,24,25)
InChIKeyUVFGXLVNTKAZEQ-UHFFFAOYSA-N
XLogP2.01
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide (CID 53174447) is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide is CCNc1cc(N2CCCC(CCC(=O)NCc3cnccn3)C2)ncn1.
What is the InChIKey of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is UVFGXLVNTKAZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-2-21-17-10-18(25-14-24-17)26-9-3-4-15(13-26)5-6-19(27)23-12-16-11-20-7-8-22-16/h7-8,10-11,14-15H,2-6,9,12-13H2,1H3,(H,23,27)(H,21,24,25).
What are the key properties of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide?
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 53174447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).