N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide

C12H18N2O2 — CID 129259339

IUPACN-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CCc1ccc(OC)nc1
InChIInChI=1S/C12H18N2O2/c1-4-12(15)14(2)8-7-10-5-6-11(16-3)13-9-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyRIHDRXVUGJPAFN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.50
Rot. Bonds5

About N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide

N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide (PubChem CID 129259339) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide
PubChem CID129259339
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CCc1ccc(OC)nc1
InChIInChI=1S/C12H18N2O2/c1-4-12(15)14(2)8-7-10-5-6-11(16-3)13-9-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyRIHDRXVUGJPAFN-UHFFFAOYSA-N
XLogP1.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide?
The IUPAC name of N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide (CID 129259339) is N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide?
The canonical SMILES for N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide is CCC(=O)N(C)CCc1ccc(OC)nc1.
What is the InChIKey of N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide?
The InChIKey is RIHDRXVUGJPAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-12(15)14(2)8-7-10-5-6-11(16-3)13-9-10/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide?
N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 129259339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).