2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide

C20H27N3O2 — CID 72904212

IUPAC2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NCCCn2c(C)cccc2=O)N(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-15-9-11-17(12-10-15)19(22(3)4)20(25)21-13-6-14-23-16(2)7-5-8-18(23)24/h5,7-12,19H,6,13-14H2,1-4H3,(H,21,25)
InChIKeyPEAGROJDWNZWEW-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.27
Rot. Bonds7

About 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide

2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide (PubChem CID 72904212) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
PubChem CID72904212
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NCCCn2c(C)cccc2=O)N(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-15-9-11-17(12-10-15)19(22(3)4)20(25)21-13-6-14-23-16(2)7-5-8-18(23)24/h5,7-12,19H,6,13-14H2,1-4H3,(H,21,25)
InChIKeyPEAGROJDWNZWEW-UHFFFAOYSA-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

(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 72902135
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 97126387
4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 97269726
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 97136296
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 97202624
2-(4-chloropyrazol-1-yl)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide
CID 119071964
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
CID 97131699
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 90652631
(2R)-2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 97200456
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136829812
2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 72844365

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide (CID 72904212) is 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)NCCCn2c(C)cccc2=O)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide?
The InChIKey is PEAGROJDWNZWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-9-11-17(12-10-15)19(22(3)4)20(25)21-13-6-14-23-16(2)7-5-8-18(23)24/h5,7-12,19H,6,13-14H2,1-4H3,(H,21,25).
What are the key properties of 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide?
2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-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 2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 72904212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).