N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide

C16H19N3O — CID 54117111

IUPACN-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide
SMILESCNC(Cc1ccccc1NC(C)=O)c1ccccn1
InChIInChI=1S/C16H19N3O/c1-12(20)19-14-8-4-3-7-13(14)11-16(17-2)15-9-5-6-10-18-15/h3-10,16-17H,11H2,1-2H3,(H,19,20)
InChIKeyNLCAEMVQMUFITE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.54
Rot. Bonds5

About N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide

N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide (PubChem CID 54117111) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide
PubChem CID54117111
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide
SMILESCNC(Cc1ccccc1NC(C)=O)c1ccccn1
InChIInChI=1S/C16H19N3O/c1-12(20)19-14-8-4-3-7-13(14)11-16(17-2)15-9-5-6-10-18-15/h3-10,16-17H,11H2,1-2H3,(H,19,20)
InChIKeyNLCAEMVQMUFITE-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide?
The IUPAC name of N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide (CID 54117111) is N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide is CNC(Cc1ccccc1NC(C)=O)c1ccccn1.
What is the InChIKey of N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide?
The InChIKey is NLCAEMVQMUFITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(20)19-14-8-4-3-7-13(14)11-16(17-2)15-9-5-6-10-18-15/h3-10,16-17H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide?
N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-2-pyridin-2-ylethyl]phenyl]acetamide is sourced from PubChem (CID 54117111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).