2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide

C17H19N3O3 — CID 25161914

IUPAC2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCc1ccccn1
InChIInChI=1S/C17H19N3O3/c1-23-15-8-3-2-7-14(15)17(22)19-11-9-16(21)20-12-13-6-4-5-10-18-13/h2-8,10H,9,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyLUWRMVVVZBWAIG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.53
Rot. Bonds7

About 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide

2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide (PubChem CID 25161914) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
PubChem CID25161914
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCc1ccccn1
InChIInChI=1S/C17H19N3O3/c1-23-15-8-3-2-7-14(15)17(22)19-11-9-16(21)20-12-13-6-4-5-10-18-13/h2-8,10H,9,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyLUWRMVVVZBWAIG-UHFFFAOYSA-N
XLogP1.53
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide (CID 25161914) is 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)NCc1ccccn1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
The InChIKey is LUWRMVVVZBWAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-15-8-3-2-7-14(15)17(22)19-11-9-16(21)20-12-13-6-4-5-10-18-13/h2-8,10H,9,11-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 25161914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).