2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide

C13H18N2O2 — CID 14047155

IUPAC2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide
SMILESCC(=O)Cc1ccncc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H18N2O2/c1-9(16)7-10-5-6-14-8-11(10)15-12(17)13(2,3)4/h5-6,8H,7H2,1-4H3,(H,15,17)
InChIKeyLWCWZOUMDRPSDV-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.20
Rot. Bonds3

About 2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide

2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide (PubChem CID 14047155) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide
PubChem CID14047155
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide
SMILESCC(=O)Cc1ccncc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H18N2O2/c1-9(16)7-10-5-6-14-8-11(10)15-12(17)13(2,3)4/h5-6,8H,7H2,1-4H3,(H,15,17)
InChIKeyLWCWZOUMDRPSDV-UHFFFAOYSA-N
XLogP2.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide (CID 14047155) is 2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide is CC(=O)Cc1ccncc1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide?
The InChIKey is LWCWZOUMDRPSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(16)7-10-5-6-14-8-11(10)15-12(17)13(2,3)4/h5-6,8H,7H2,1-4H3,(H,15,17).
What are the key properties of 2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide?
2,2-dimethyl-N-[4-(2-oxopropyl)-3-pyridinyl]propanamide has a molecular weight of 234.30 g/mol, XLogP of 2.20, 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-[4-(2-oxopropyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 14047155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).