N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide

C16H17N3O3 — CID 91828637

IUPACN-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)COc2cccnc2)c1
InChIInChI=1S/C16H17N3O3/c1-17-16(21)13-5-2-4-12(8-13)9-19-15(20)11-22-14-6-3-7-18-10-14/h2-8,10H,9,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyDKGZVRRAZVPGDN-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.14
Rot. Bonds6

About N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide

N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide (PubChem CID 91828637) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
PubChem CID91828637
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)COc2cccnc2)c1
InChIInChI=1S/C16H17N3O3/c1-17-16(21)13-5-2-4-12(8-13)9-19-15(20)11-22-14-6-3-7-18-10-14/h2-8,10H,9,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyDKGZVRRAZVPGDN-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 33203040
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
3-[2-[[N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633499
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
CID 32919336
pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate
CID 75482196
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166325203

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide (CID 91828637) is N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)COc2cccnc2)c1.
What is the InChIKey of N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide?
The InChIKey is DKGZVRRAZVPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-17-16(21)13-5-2-4-12(8-13)9-19-15(20)11-22-14-6-3-7-18-10-14/h2-8,10H,9,11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide?
N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide is sourced from PubChem (CID 91828637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).