(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride

C18H26Cl2N4O — CID 119845900

IUPAC(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN(CC)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cn1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-3-22(4-2)17-11-10-15(13-20-17)21-18(23)16(19)12-14-8-6-5-7-9-14;;/h5-11,13,16H,3-4,12,19H2,1-2H3,(H,21,23);2*1H/t16-;;/m0../s1
InChIKeyTXARLCMIBAKNAS-SQKCAUCHSA-N
MW385.34 g/mol
LogP3.28
Rot. Bonds7

About (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride

(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119845900) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119845900
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC Name(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN(CC)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cn1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-3-22(4-2)17-11-10-15(13-20-17)21-18(23)16(19)12-14-8-6-5-7-9-14;;/h5-11,13,16H,3-4,12,19H2,1-2H3,(H,21,23);2*1H/t16-;;/m0../s1
InChIKeyTXARLCMIBAKNAS-SQKCAUCHSA-N
XLogP3.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
(2R)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928749
3-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methoxypropanamide
CID 106111585
1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
2-amino-N-[6-[benzyl(ethyl)amino]-3-pyridinyl]acetamide
CID 39181885
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119283382
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2R)-2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-3-phenylpropanamide
CID 103797011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride (CID 119845900) is (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride is CCN(CC)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cn1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is TXARLCMIBAKNAS-SQKCAUCHSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c1-3-22(4-2)17-11-10-15(13-20-17)21-18(23)16(19)12-14-8-6-5-7-9-14;;/h5-11,13,16H,3-4,12,19H2,1-2H3,(H,21,23);2*1H/t16-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride?
(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119845900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).