2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride

C20H30Cl3N5O — CID 119901240

IUPAC2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
SMILESCN1CCN(c2ccc(CNC(=O)C(N)Cc3ccccc3)cn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C20H27N5O.3ClH/c1-24-9-11-25(12-10-24)19-8-7-17(14-22-19)15-23-20(26)18(21)13-16-5-3-2-4-6-16;;;/h2-8,14,18H,9-13,15,21H2,1H3,(H,23,26);3*1H
InChIKeySRPCNYXFGYERQK-UHFFFAOYSA-N
MW462.85 g/mol
LogP2.29
Rot. Bonds6

About 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride

2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride (PubChem CID 119901240) has the molecular formula C20H30Cl3N5O and a molecular weight of 462.85 g/mol. Its IUPAC name is 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
PubChem CID119901240
Molecular FormulaC20H30Cl3N5O
Molecular Weight462.85 g/mol
Exact Mass461.15
IUPAC Name2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
SMILESCN1CCN(c2ccc(CNC(=O)C(N)Cc3ccccc3)cn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C20H27N5O.3ClH/c1-24-9-11-25(12-10-24)19-8-7-17(14-22-19)15-23-20(26)18(21)13-16-5-3-2-4-6-16;;;/h2-8,14,18H,9-13,15,21H2,1H3,(H,23,26);3*1H
InChIKeySRPCNYXFGYERQK-UHFFFAOYSA-N
XLogP2.29
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.85
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride 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

(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801577
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
1-benzyl-2-methyl-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110954761
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119846505
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31008067
2-amino-3-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]propanoic acid
CID 170879480
2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55911766
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride?
The IUPAC name of 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride (CID 119901240) is 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride.
What is the SMILES notation for 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride?
The canonical SMILES for 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride is CN1CCN(c2ccc(CNC(=O)C(N)Cc3ccccc3)cn2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride?
The InChIKey is SRPCNYXFGYERQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O.3ClH/c1-24-9-11-25(12-10-24)19-8-7-17(14-22-19)15-23-20(26)18(21)13-16-5-3-2-4-6-16;;;/h2-8,14,18H,9-13,15,21H2,1H3,(H,23,26);3*1H.
What are the key properties of 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride?
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride has a molecular weight of 462.85 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride is sourced from PubChem (CID 119901240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).