(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide

C18H23N3O — CID 86285465

IUPAC(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccncc1
InChIInChI=1S/C18H23N3O/c1-21(2)17(14-16-6-4-3-5-7-16)18(22)20-13-10-15-8-11-19-12-9-15/h3-9,11-12,17H,10,13-14H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyCGJFOTRXEBIZFB-KRWDZBQOSA-N
MW297.40 g/mol
LogP1.91
Rot. Bonds7

About (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide

(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 86285465) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID86285465
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccncc1
InChIInChI=1S/C18H23N3O/c1-21(2)17(14-16-6-4-3-5-7-16)18(22)20-13-10-15-8-11-19-12-9-15/h3-9,11-12,17H,10,13-14H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyCGJFOTRXEBIZFB-KRWDZBQOSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
2-[benzyl(3-phenylpropanoyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214149
(2R)-N,3-dimethyl-2-(methylamino)-N-[(2R)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]butanamide
CID 73331912
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
[(2S)-1-[methyl(propan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66988425
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-oxo-3-phenyl-1-(2-pyridin-4-ylethylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
CID 54573486
(E)-N,5-dimethyl-5-(methylamino)-N-[1-[methyl-[1-oxo-3-phenyl-1-(2-pyridin-4-ylethylamino)propan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
CID 20827559

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide (CID 86285465) is (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide is CN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccncc1.
What is the InChIKey of (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is CGJFOTRXEBIZFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(2)17(14-16-6-4-3-5-7-16)18(22)20-13-10-15-8-11-19-12-9-15/h3-9,11-12,17H,10,13-14H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide?
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 86285465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).