4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide

C15H17N3O — CID 90338069

IUPAC4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCNCc1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H17N3O/c1-16-10-12-5-7-13(8-6-12)15(19)18-11-14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyDSFGRURXUZNOPE-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.73
Rot. Bonds5

About 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide

4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 90338069) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID90338069
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCNCc1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H17N3O/c1-16-10-12-5-7-13(8-6-12)15(19)18-11-14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyDSFGRURXUZNOPE-UHFFFAOYSA-N
XLogP1.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51101128
N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 174467580
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 90338069) is 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide is CNCc1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DSFGRURXUZNOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-16-10-12-5-7-13(8-6-12)15(19)18-11-14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide?
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 255.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 90338069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).