3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride

C20H29Cl2N3O — CID 119885548

IUPAC3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cccnc1C(NC(=O)C(C)C(N)c1ccccc1)C(C)C.Cl.Cl
InChIInChI=1S/C20H27N3O.2ClH/c1-13(2)18(19-14(3)9-8-12-22-19)23-20(24)15(4)17(21)16-10-6-5-7-11-16;;/h5-13,15,17-18H,21H2,1-4H3,(H,23,24);2*1H
InChIKeyPKQIYPJCLQZFMY-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.38
Rot. Bonds6

About 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride

3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119885548) has the molecular formula C20H29Cl2N3O and a molecular weight of 398.38 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119885548
Molecular FormulaC20H29Cl2N3O
Molecular Weight398.38 g/mol
Exact Mass397.17
IUPAC Name3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cccnc1C(NC(=O)C(C)C(N)c1ccccc1)C(C)C.Cl.Cl
InChIInChI=1S/C20H27N3O.2ClH/c1-13(2)18(19-14(3)9-8-12-22-19)23-20(24)15(4)17(21)16-10-6-5-7-11-16;;/h5-13,15,17-18H,21H2,1-4H3,(H,23,24);2*1H
InChIKeyPKQIYPJCLQZFMY-UHFFFAOYSA-N
XLogP4.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953880
1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414422
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
CID 95628271
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
CID 119863805
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119885546
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide
CID 96550277
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
CID 80552726
(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride (CID 119885548) is 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride is Cc1cccnc1C(NC(=O)C(C)C(N)c1ccccc1)C(C)C.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is PKQIYPJCLQZFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.2ClH/c1-13(2)18(19-14(3)9-8-12-22-19)23-20(24)15(4)17(21)16-10-6-5-7-11-16;;/h5-13,15,17-18H,21H2,1-4H3,(H,23,24);2*1H.
What are the key properties of 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride?
3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 398.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119885548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).