3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide

C19H33N5O — CID 53188772

IUPAC3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide
SMILESCCNc1cc(N2CCC(CCC(=O)NC(CC)CC)CC2)ncn1
InChIInChI=1S/C19H33N5O/c1-4-16(5-2)23-19(25)8-7-15-9-11-24(12-10-15)18-13-17(20-6-3)21-14-22-18/h13-16H,4-12H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyXWMFQPIMLRQXQW-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.21
Rot. Bonds9

About 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide (PubChem CID 53188772) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide
PubChem CID53188772
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide
SMILESCCNc1cc(N2CCC(CCC(=O)NC(CC)CC)CC2)ncn1
InChIInChI=1S/C19H33N5O/c1-4-16(5-2)23-19(25)8-7-15-9-11-24(12-10-15)18-13-17(20-6-3)21-14-22-18/h13-16H,4-12H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyXWMFQPIMLRQXQW-UHFFFAOYSA-N
XLogP3.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide?
The IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide (CID 53188772) is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide?
The canonical SMILES for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide is CCNc1cc(N2CCC(CCC(=O)NC(CC)CC)CC2)ncn1.
What is the InChIKey of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide?
The InChIKey is XWMFQPIMLRQXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-16(5-2)23-19(25)8-7-15-9-11-24(12-10-15)18-13-17(20-6-3)21-14-22-18/h13-16H,4-12H2,1-3H3,(H,23,25)(H,20,21,22).
What are the key properties of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide?
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide has a molecular weight of 347.51 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 53188772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).