N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide

C15H17N3O — CID 123422465

IUPACN-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
SMILESCNc1cc(-c2cccc(CNC(C)=O)c2)ccn1
InChIInChI=1S/C15H17N3O/c1-11(19)18-10-12-4-3-5-13(8-12)14-6-7-17-15(9-14)16-2/h3-9H,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDDLJJFSQORCKKX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.43
Rot. Bonds4

About N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide

N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide (PubChem CID 123422465) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
PubChem CID123422465
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
SMILESCNc1cc(-c2cccc(CNC(C)=O)c2)ccn1
InChIInChI=1S/C15H17N3O/c1-11(19)18-10-12-4-3-5-13(8-12)14-6-7-17-15(9-14)16-2/h3-9H,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDDLJJFSQORCKKX-UHFFFAOYSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide (CID 123422465) is N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide is CNc1cc(-c2cccc(CNC(C)=O)c2)ccn1.
What is the InChIKey of N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide?
The InChIKey is DDLJJFSQORCKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(19)18-10-12-4-3-5-13(8-12)14-6-7-17-15(9-14)16-2/h3-9H,10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide?
N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide is sourced from PubChem (CID 123422465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).