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

C16H17N3O3 — CID 2470424

IUPAC2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1cccnc1
InChIInChI=1S/C16H17N3O3/c1-22-14-7-3-2-6-13(14)16(21)18-10-8-15(20)19-12-5-4-9-17-11-12/h2-7,9,11H,8,10H2,1H3,(H,18,21)(H,19,20)
InChIKeySFTJCKSPNNYEEE-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.85
Rot. Bonds6

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

2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide (PubChem CID 2470424) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide
PubChem CID2470424
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1cccnc1
InChIInChI=1S/C16H17N3O3/c1-22-14-7-3-2-6-13(14)16(21)18-10-8-15(20)19-12-5-4-9-17-11-12/h2-7,9,11H,8,10H2,1H3,(H,18,21)(H,19,20)
InChIKeySFTJCKSPNNYEEE-UHFFFAOYSA-N
XLogP1.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.85
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-3-ylamino)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide (CID 2470424) is 2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)Nc1cccnc1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide?
The InChIKey is SFTJCKSPNNYEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-7-3-2-6-13(14)16(21)18-10-8-15(20)19-12-5-4-9-17-11-12/h2-7,9,11H,8,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide?
2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.85, 6 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-3-ylamino)propyl]benzamide is sourced from PubChem (CID 2470424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).