2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide

C12H17N3O2 — CID 36863294

IUPAC2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccnc1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)11(17)14-8-10(16)15-9-5-4-6-13-7-9/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQXOKCCGKSHECBF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.18
Rot. Bonds3

About 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide (PubChem CID 36863294) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide
PubChem CID36863294
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccnc1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)11(17)14-8-10(16)15-9-5-4-6-13-7-9/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQXOKCCGKSHECBF-UHFFFAOYSA-N
XLogP1.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide (CID 36863294) is 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)Nc1cccnc1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide?
The InChIKey is QXOKCCGKSHECBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)11(17)14-8-10(16)15-9-5-4-6-13-7-9/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide has a molecular weight of 235.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide is sourced from PubChem (CID 36863294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).