3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide

C16H18N2O2 — CID 3047846

IUPAC3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)C(CO)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(11-13-6-5-9-17-10-13)16(20)15(12-19)14-7-3-2-4-8-14/h2-10,15,19H,11-12H2,1H3
InChIKeyGWOKREXNFQNEHW-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.82
Rot. Bonds5

About 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide

3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 3047846) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID3047846
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)C(CO)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-18(11-13-6-5-9-17-10-13)16(20)15(12-19)14-7-3-2-4-8-14/h2-10,15,19H,11-12H2,1H3
InChIKeyGWOKREXNFQNEHW-UHFFFAOYSA-N
XLogP1.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 3047846) is 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide is CN(Cc1cccnc1)C(=O)C(CO)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GWOKREXNFQNEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(11-13-6-5-9-17-10-13)16(20)15(12-19)14-7-3-2-4-8-14/h2-10,15,19H,11-12H2,1H3.
What are the key properties of 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide?
3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 3047846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).