N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C21H29N5O — CID 119438834

IUPACN-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCCNCc1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H29N5O/c1-2-22-17-18-7-3-4-8-19(18)24-21(27)10-12-25-13-15-26(16-14-25)20-9-5-6-11-23-20/h3-9,11,22H,2,10,12-17H2,1H3,(H,24,27)
InChIKeyDXDNLXLHBRUTOZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.34
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 119438834) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID119438834
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCCNCc1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H29N5O/c1-2-22-17-18-7-3-4-8-19(18)24-21(27)10-12-25-13-15-26(16-14-25)20-9-5-6-11-23-20/h3-9,11,22H,2,10,12-17H2,1H3,(H,24,27)
InChIKeyDXDNLXLHBRUTOZ-UHFFFAOYSA-N
XLogP2.34
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-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

Related Compounds

N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 6259677
N-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 13210213
N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119439339
N-(9-ethylcarbazol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 22458846
N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 43601378
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
N-(2-fluorophenyl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 33413945
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030534
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 119438834) is N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CCNCc1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is DXDNLXLHBRUTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-2-22-17-18-7-3-4-8-19(18)24-21(27)10-12-25-13-15-26(16-14-25)20-9-5-6-11-23-20/h3-9,11,22H,2,10,12-17H2,1H3,(H,24,27).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 367.50 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 119438834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).