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

C16H21Cl2N3O — CID 119869372

IUPAC3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1cccnc1CNC(=O)C(CN)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-12-6-5-9-18-15(12)11-19-16(20)14(10-17)13-7-3-2-4-8-13;;/h2-9,14H,10-11,17H2,1H3,(H,19,20);2*1H
InChIKeyZUQIFFDYVBBFJV-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.59
Rot. Bonds5

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

3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 119869372) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
PubChem CID119869372
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1cccnc1CNC(=O)C(CN)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-12-6-5-9-18-15(12)11-19-16(20)14(10-17)13-7-3-2-4-8-13;;/h2-9,14H,10-11,17H2,1H3,(H,19,20);2*1H
InChIKeyZUQIFFDYVBBFJV-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119742337
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 62878373
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119855008
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 62879092
3-amino-N-(2-methyl-2-phenylpropyl)-2-phenylpropanamide;hydrochloride
CID 119724299
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride (CID 119869372) is 3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride is Cc1cccnc1CNC(=O)C(CN)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is ZUQIFFDYVBBFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-12-6-5-9-18-15(12)11-19-16(20)14(10-17)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 3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride?
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119869372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).