N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide

C17H19N3O3 — CID 2534473

IUPACN-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-20(12-14-6-5-9-18-10-14)17(22)11-19-16(21)13-23-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyKEFZNTPXSJUHDD-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.24
Rot. Bonds7

About N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide

N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 2534473) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID2534473
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-20(12-14-6-5-9-18-10-14)17(22)11-19-16(21)13-23-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyKEFZNTPXSJUHDD-UHFFFAOYSA-N
XLogP1.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide (CID 2534473) is N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)CNC(=O)COc1ccccc1.
What is the InChIKey of N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KEFZNTPXSJUHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20(12-14-6-5-9-18-10-14)17(22)11-19-16(21)13-23-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 2534473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).