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

C19H27Cl2N3O — CID 119953880

IUPAC3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cccnc1C(NC(=O)CC(N)c1ccccc1)C(C)C.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-13(2)18(19-14(3)8-7-11-21-19)22-17(23)12-16(20)15-9-5-4-6-10-15;;/h4-11,13,16,18H,12,20H2,1-3H3,(H,22,23);2*1H
InChIKeySCXVMFXSRHBZBU-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.14
Rot. Bonds6

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

3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119953880) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119953880
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1cccnc1C(NC(=O)CC(N)c1ccccc1)C(C)C.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-13(2)18(19-14(3)8-7-11-21-19)22-17(23)12-16(20)15-9-5-4-6-10-15;;/h4-11,13,16,18H,12,20H2,1-3H3,(H,22,23);2*1H
InChIKeySCXVMFXSRHBZBU-UHFFFAOYSA-N
XLogP4.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119885548
1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414422
2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119133858
N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide
CID 96550277
2-(3-methoxyphenyl)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 96550306
3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide
CID 119951202
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 61157521
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 79010019
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
CID 95628271
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride (CID 119953880) is 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride is Cc1cccnc1C(NC(=O)CC(N)c1ccccc1)C(C)C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is SCXVMFXSRHBZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-13(2)18(19-14(3)8-7-11-21-19)22-17(23)12-16(20)15-9-5-4-6-10-15;;/h4-11,13,16,18H,12,20H2,1-3H3,(H,22,23);2*1H.
What are the key properties of 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).