(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide

C20H27N3O2 — CID 97206308

IUPAC(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@H](C(=O)NCCCn2c(C)cccc2=O)N(C)C)c1
InChIInChI=1S/C20H27N3O2/c1-15-8-5-10-17(14-15)19(22(3)4)20(25)21-12-7-13-23-16(2)9-6-11-18(23)24/h5-6,8-11,14,19H,7,12-13H2,1-4H3,(H,21,25)/t19-/m1/s1
InChIKeyLQKPECPDDNFXFO-LJQANCHMSA-N
MW341.46 g/mol
LogP2.27
Rot. Bonds7

About (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide

(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide (PubChem CID 97206308) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
PubChem CID97206308
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@H](C(=O)NCCCn2c(C)cccc2=O)N(C)C)c1
InChIInChI=1S/C20H27N3O2/c1-15-8-5-10-17(14-15)19(22(3)4)20(25)21-12-7-13-23-16(2)9-6-11-18(23)24/h5-6,8-11,14,19H,7,12-13H2,1-4H3,(H,21,25)/t19-/m1/s1
InChIKeyLQKPECPDDNFXFO-LJQANCHMSA-N
XLogP2.27
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
CID 72904212
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
CID 97131699
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 90652631
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
CID 97200777
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098
2-(4-chloropyrazol-1-yl)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide
CID 119071964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide (CID 97206308) is (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide is Cc1cccc([C@H](C(=O)NCCCn2c(C)cccc2=O)N(C)C)c1.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide?
The InChIKey is LQKPECPDDNFXFO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-8-5-10-17(14-15)19(22(3)4)20(25)21-12-7-13-23-16(2)9-6-11-18(23)24/h5-6,8-11,14,19H,7,12-13H2,1-4H3,(H,21,25)/t19-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide?
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 97206308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).