3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride

C17H23Cl2N3O — CID 119863805

IUPAC3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
SMILESCC(C(=O)N[C@@H](C)c1cccnc1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12(16(18)14-7-4-3-5-8-14)17(21)20-13(2)15-9-6-10-19-11-15;;/h3-13,16H,18H2,1-2H3,(H,20,21);2*1H/t12?,13-,16?;;/m0../s1
InChIKeyQPGAJHPNXGTFNI-HJUOUDMOSA-N
MW356.30 g/mol
LogP3.44
Rot. Bonds5

About 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride

3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride (PubChem CID 119863805) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
PubChem CID119863805
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
SMILESCC(C(=O)N[C@@H](C)c1cccnc1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12(16(18)14-7-4-3-5-8-14)17(21)20-13(2)15-9-6-10-19-11-15;;/h3-13,16H,18H2,1-2H3,(H,20,21);2*1H/t12?,13-,16?;;/m0../s1
InChIKeyQPGAJHPNXGTFNI-HJUOUDMOSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
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CID 104984672
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride (CID 119863805) is 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride is CC(C(=O)N[C@@H](C)c1cccnc1)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride?
The InChIKey is QPGAJHPNXGTFNI-HJUOUDMOSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-12(16(18)14-7-4-3-5-8-14)17(21)20-13(2)15-9-6-10-19-11-15;;/h3-13,16H,18H2,1-2H3,(H,20,21);2*1H/t12?,13-,16?;;/m0../s1.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride?
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119863805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).