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

C21H30N6O — CID 53202005

IUPAC3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCNc1cc(N2CCCC(CCC(=O)NCc3ccccn3)C2)ncn1
InChIInChI=1S/C21H30N6O/c1-2-10-23-19-13-20(26-16-25-19)27-12-5-6-17(15-27)8-9-21(28)24-14-18-7-3-4-11-22-18/h3-4,7,11,13,16-17H,2,5-6,8-10,12,14-15H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyGLDTULXLFSYHTA-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.01
Rot. Bonds9

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

3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 53202005) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID53202005
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCNc1cc(N2CCCC(CCC(=O)NCc3ccccn3)C2)ncn1
InChIInChI=1S/C21H30N6O/c1-2-10-23-19-13-20(26-16-25-19)27-12-5-6-17(15-27)8-9-21(28)24-14-18-7-3-4-11-22-18/h3-4,7,11,13,16-17H,2,5-6,8-10,12,14-15H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyGLDTULXLFSYHTA-UHFFFAOYSA-N
XLogP3.01
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 53202005) is 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide is CCCNc1cc(N2CCCC(CCC(=O)NCc3ccccn3)C2)ncn1.
What is the InChIKey of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is GLDTULXLFSYHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-2-10-23-19-13-20(26-16-25-19)27-12-5-6-17(15-27)8-9-21(28)24-14-18-7-3-4-11-22-18/h3-4,7,11,13,16-17H,2,5-6,8-10,12,14-15H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 53202005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).