2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide

C16H19N3O — CID 114698239

IUPAC2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
SMILESCc1cnccc1CNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H19N3O/c1-12-10-18-7-6-15(12)11-19-16(20)8-13-2-4-14(9-17)5-3-13/h2-7,10H,8-9,11,17H2,1H3,(H,19,20)
InChIKeyBTOXSMFSPSJEHG-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide

2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide (PubChem CID 114698239) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
PubChem CID114698239
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
SMILESCc1cnccc1CNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H19N3O/c1-12-10-18-7-6-15(12)11-19-16(20)8-13-2-4-14(9-17)5-3-13/h2-7,10H,8-9,11,17H2,1H3,(H,19,20)
InChIKeyBTOXSMFSPSJEHG-UHFFFAOYSA-N
XLogP1.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114700232
6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700307
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700367
N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107036589
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide (CID 114698239) is 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide is Cc1cnccc1CNC(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The InChIKey is BTOXSMFSPSJEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-10-18-7-6-15(12)11-19-16(20)8-13-2-4-14(9-17)5-3-13/h2-7,10H,8-9,11,17H2,1H3,(H,19,20).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 114698239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).