2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide

C15H16N2O2 — CID 6472042

IUPAC2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C15H16N2O2/c1-11-3-5-14(6-4-11)19-12(2)15(18)17-13-7-9-16-10-8-13/h3-10,12H,1-2H3,(H,16,17,18)
InChIKeyVEJRZTHDHINHOB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide

2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide (PubChem CID 6472042) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide
PubChem CID6472042
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C15H16N2O2/c1-11-3-5-14(6-4-11)19-12(2)15(18)17-13-7-9-16-10-8-13/h3-10,12H,1-2H3,(H,16,17,18)
InChIKeyVEJRZTHDHINHOB-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide (CID 6472042) is 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide is Cc1ccc(OC(C)C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide?
The InChIKey is VEJRZTHDHINHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-3-5-14(6-4-11)19-12(2)15(18)17-13-7-9-16-10-8-13/h3-10,12H,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide?
2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide has a molecular weight of 256.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 6472042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).