N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide

C12H16N2O2 — CID 115176145

IUPACN-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NCC(C)(C)c1ccncc1
InChIInChI=1S/C12H16N2O2/c1-9(15)11(16)14-8-12(2,3)10-4-6-13-7-5-10/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyCAZQGXWJBKUJKY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.06
Rot. Bonds4

About N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide

N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide (PubChem CID 115176145) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
PubChem CID115176145
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NCC(C)(C)c1ccncc1
InChIInChI=1S/C12H16N2O2/c1-9(15)11(16)14-8-12(2,3)10-4-6-13-7-5-10/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyCAZQGXWJBKUJKY-UHFFFAOYSA-N
XLogP1.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
4-amino-4-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pentanamide
CID 115157653
2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
CID 115128210
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176125
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115186798
2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide
CID 75484225
N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylphenyl)propanamide
CID 166227449
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176120

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide?
The IUPAC name of N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide (CID 115176145) is N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide.
What is the SMILES notation for N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide?
The canonical SMILES for N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide is CC(=O)C(=O)NCC(C)(C)c1ccncc1.
What is the InChIKey of N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide?
The InChIKey is CAZQGXWJBKUJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)11(16)14-8-12(2,3)10-4-6-13-7-5-10/h4-7H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide?
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide has a molecular weight of 220.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide is sourced from PubChem (CID 115176145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).