3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide

C14H15N3O2 — CID 28564635

IUPAC3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
SMILESCOc1ccc(NCc2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C14H15N3O2/c1-19-13-6-5-12(9-17-13)16-8-10-3-2-4-11(7-10)14(15)18/h2-7,9,16H,8H2,1H3,(H2,15,18)
InChIKeyGHBLSTFWGGSFJU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.80
Rot. Bonds5

About 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide

3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide (PubChem CID 28564635) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
PubChem CID28564635
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
SMILESCOc1ccc(NCc2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C14H15N3O2/c1-19-13-6-5-12(9-17-13)16-8-10-3-2-4-11(7-10)14(15)18/h2-7,9,16H,8H2,1H3,(H2,15,18)
InChIKeyGHBLSTFWGGSFJU-UHFFFAOYSA-N
XLogP1.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide (CID 28564635) is 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide is COc1ccc(NCc2cccc(C(N)=O)c2)cn1.
What is the InChIKey of 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide?
The InChIKey is GHBLSTFWGGSFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-13-6-5-12(9-17-13)16-8-10-3-2-4-11(7-10)14(15)18/h2-7,9,16H,8H2,1H3,(H2,15,18).
What are the key properties of 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide?
3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide has a molecular weight of 257.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 28564635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).