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

C20H29N7O — CID 53174339

IUPAC3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide
SMILESCCCNc1cc(N2CCCC(CCC(=O)NCc3cnccn3)C2)ncn1
InChIInChI=1S/C20H29N7O/c1-2-7-23-18-11-19(26-15-25-18)27-10-3-4-16(14-27)5-6-20(28)24-13-17-12-21-8-9-22-17/h8-9,11-12,15-16H,2-7,10,13-14H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyIYMHJADKGHPFQI-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.40
Rot. Bonds9

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

3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 53174339) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID53174339
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide
SMILESCCCNc1cc(N2CCCC(CCC(=O)NCc3cnccn3)C2)ncn1
InChIInChI=1S/C20H29N7O/c1-2-7-23-18-11-19(26-15-25-18)27-10-3-4-16(14-27)5-6-20(28)24-13-17-12-21-8-9-22-17/h8-9,11-12,15-16H,2-7,10,13-14H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyIYMHJADKGHPFQI-UHFFFAOYSA-N
XLogP2.40
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide (CID 53174339) is 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide is CCCNc1cc(N2CCCC(CCC(=O)NCc3cnccn3)C2)ncn1.
What is the InChIKey of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is IYMHJADKGHPFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-2-7-23-18-11-19(26-15-25-18)27-10-3-4-16(14-27)5-6-20(28)24-13-17-12-21-8-9-22-17/h8-9,11-12,15-16H,2-7,10,13-14H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide?
3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 383.50 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 53174339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).