(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide

C19H23N3O2 — CID 95617732

IUPAC(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
SMILESCN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cccnc1
InChIInChI=1S/C19H23N3O2/c1-22(2)19(24)17(13-15-7-4-3-5-8-15)21-18(23)11-10-16-9-6-12-20-14-16/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyCPJBOHZKBHDZST-QGZVFWFLSA-N
MW325.41 g/mol
LogP1.83
Rot. Bonds7

About (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide

(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide (PubChem CID 95617732) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
PubChem CID95617732
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
SMILESCN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cccnc1
InChIInChI=1S/C19H23N3O2/c1-22(2)19(24)17(13-15-7-4-3-5-8-15)21-18(23)11-10-16-9-6-12-20-14-16/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyCPJBOHZKBHDZST-QGZVFWFLSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride
CID 120610630
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
CID 119780816
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
4-methylsulfanyl-2-(3-pyridin-3-ylpropanoylamino)butanoic acid
CID 43353459
N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 18396525
2-[[2-[3-(4-hydroxyphenyl)propanoylamino]-3-pyridin-3-ylpropanoyl]amino]acetic acid
CID 166126236
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 175888348
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
CID 81486896
3-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119165684

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide?
The IUPAC name of (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide (CID 95617732) is (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide is CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1cccnc1.
What is the InChIKey of (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide?
The InChIKey is CPJBOHZKBHDZST-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)19(24)17(13-15-7-4-3-5-8-15)21-18(23)11-10-16-9-6-12-20-14-16/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide?
(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide has a molecular weight of 325.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide is sourced from PubChem (CID 95617732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).