3-(pyridin-4-ylmethylamino)benzamide

C13H13N3O — CID 28650520

IUPAC3-(pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C13H13N3O/c14-13(17)11-2-1-3-12(8-11)16-9-10-4-6-15-7-5-10/h1-8,16H,9H2,(H2,14,17)
InChIKeyVYLLHKVTXKRLJN-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.79
Rot. Bonds4

About 3-(pyridin-4-ylmethylamino)benzamide

3-(pyridin-4-ylmethylamino)benzamide (PubChem CID 28650520) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-(pyridin-4-ylmethylamino)benzamide
PubChem CID28650520
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-(pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C13H13N3O/c14-13(17)11-2-1-3-12(8-11)16-9-10-4-6-15-7-5-10/h1-8,16H,9H2,(H2,14,17)
InChIKeyVYLLHKVTXKRLJN-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyridin-4-ylethylamino)benzamide
CID 107811285
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983
5-(pyridin-4-ylmethylamino)benzene-1,3-dicarboxylic acid
CID 101486213
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
1-[3-(pyridin-4-ylmethylamino)phenyl]cyclopropane-1-carboxylic acid
CID 167807720
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of 3-(pyridin-4-ylmethylamino)benzamide (CID 28650520) is 3-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for 3-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for 3-(pyridin-4-ylmethylamino)benzamide is NC(=O)c1cccc(NCc2ccncc2)c1.
What is the InChIKey of 3-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is VYLLHKVTXKRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-13(17)11-2-1-3-12(8-11)16-9-10-4-6-15-7-5-10/h1-8,16H,9H2,(H2,14,17).
What are the key properties of 3-(pyridin-4-ylmethylamino)benzamide?
3-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 227.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 28650520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).