3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide

C14H20N2O2 — CID 126840803

IUPAC3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCCC(C)(C)C(=O)C(=O)NCCc1ccccn1
InChIInChI=1S/C14H20N2O2/c1-4-14(2,3)12(17)13(18)16-10-8-11-7-5-6-9-15-11/h5-7,9H,4,8,10H2,1-3H3,(H,16,18)
InChIKeyNIFBOOYOJSZXLT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds6

About 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide

3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide (PubChem CID 126840803) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
PubChem CID126840803
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCCC(C)(C)C(=O)C(=O)NCCc1ccccn1
InChIInChI=1S/C14H20N2O2/c1-4-14(2,3)12(17)13(18)16-10-8-11-7-5-6-9-15-11/h5-7,9H,4,8,10H2,1-3H3,(H,16,18)
InChIKeyNIFBOOYOJSZXLT-UHFFFAOYSA-N
XLogP1.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
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

ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643
3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
CID 23627982
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 79804719
2-[(Z)-N'-hydroxycarbamimidoyl]-2-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 114292605
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide (CID 126840803) is 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide is CCC(C)(C)C(=O)C(=O)NCCc1ccccn1.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide?
The InChIKey is NIFBOOYOJSZXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-14(2,3)12(17)13(18)16-10-8-11-7-5-6-9-15-11/h5-7,9H,4,8,10H2,1-3H3,(H,16,18).
What are the key properties of 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide?
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide has a molecular weight of 248.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide is sourced from PubChem (CID 126840803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).