2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide

C16H23N3O2 — CID 86921275

IUPAC2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)15(21)18-11-14(20)19-10-4-5-13(19)12-6-8-17-9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyYHAYLEZINBZTAI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds3

About 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide (PubChem CID 86921275) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide
PubChem CID86921275
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)15(21)18-11-14(20)19-10-4-5-13(19)12-6-8-17-9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyYHAYLEZINBZTAI-UHFFFAOYSA-N
XLogP1.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]furan-3-carboxamide
CID 71942102
2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 46528379
4-oxo-4-(2-pyridin-4-ylpyrrolidin-1-yl)butanoic acid
CID 43578440
4-tert-butylsulfanyl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]butan-1-one
CID 97241360
N-methyl-N-[2-oxo-2-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]ethyl]methanesulfonamide
CID 94097785
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403
N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 110871633
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
1-(4-methylphenyl)-4-(2-pyridin-4-ylpyrrolidin-1-yl)butane-1,4-dione
CID 86920444
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]propan-1-one
CID 38483127
(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 56815043
4-methyl-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 24670296

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide (CID 86921275) is 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)N1CCCC1c1ccncc1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide?
The InChIKey is YHAYLEZINBZTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)15(21)18-11-14(20)19-10-4-5-13(19)12-6-8-17-9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 86921275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).