2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride

C16H21Cl2N3O — CID 119869371

IUPAC2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cccnc1CNC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-12-6-5-9-18-15(12)11-19-16(20)14(17)10-13-7-3-2-4-8-13;;/h2-9,14H,10-11,17H2,1H3,(H,19,20);2*1H
InChIKeyQYTYAISHUZLPOF-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119869371) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119869371
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cccnc1CNC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-12-6-5-9-18-15(12)11-19-16(20)14(17)10-13-7-3-2-4-8-13;;/h2-9,14H,10-11,17H2,1H3,(H,19,20);2*1H
InChIKeyQYTYAISHUZLPOF-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride 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

2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
CID 104941410
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride (CID 119869371) is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride is Cc1cccnc1CNC(=O)C(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is QYTYAISHUZLPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-12-6-5-9-18-15(12)11-19-16(20)14(17)10-13-7-3-2-4-8-13;;/h2-9,14H,10-11,17H2,1H3,(H,19,20);2*1H.
What are the key properties of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119869371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).