N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

C17H29N5O — CID 53188586

IUPACN-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NCC)CC2)ncn1
InChIInChI=1S/C17H29N5O/c1-3-9-19-15-12-16(21-13-20-15)22-10-7-14(8-11-22)5-6-17(23)18-4-2/h12-14H,3-11H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyRYWHUKLYDCYCAB-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.43
Rot. Bonds8

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

N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188586) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188586
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NCC)CC2)ncn1
InChIInChI=1S/C17H29N5O/c1-3-9-19-15-12-16(21-13-20-15)22-10-7-14(8-11-22)5-6-17(23)18-4-2/h12-14H,3-11H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyRYWHUKLYDCYCAB-UHFFFAOYSA-N
XLogP2.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide 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 N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188586) is N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCCNc1cc(N2CCC(CCC(=O)NCC)CC2)ncn1.
What is the InChIKey of N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is RYWHUKLYDCYCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-3-9-19-15-12-16(21-13-20-15)22-10-7-14(8-11-22)5-6-17(23)18-4-2/h12-14H,3-11H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).