3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide

C16H19N3O — CID 114479915

IUPAC3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNCCc1ccncc1
InChIInChI=1S/C16H19N3O/c1-12-10-14(16(17)20)2-3-15(12)11-19-9-6-13-4-7-18-8-5-13/h2-5,7-8,10,19H,6,9,11H2,1H3,(H2,17,20)
InChIKeyFFADWOLWGVXNBE-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.82
Rot. Bonds6

About 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide

3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide (PubChem CID 114479915) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide
PubChem CID114479915
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNCCc1ccncc1
InChIInChI=1S/C16H19N3O/c1-12-10-14(16(17)20)2-3-15(12)11-19-9-6-13-4-7-18-8-5-13/h2-5,7-8,10,19H,6,9,11H2,1H3,(H2,17,20)
InChIKeyFFADWOLWGVXNBE-UHFFFAOYSA-N
XLogP1.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 62134095
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzonitrile
CID 114479914
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide
CID 106417982
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide?
The IUPAC name of 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide (CID 114479915) is 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide is Cc1cc(C(N)=O)ccc1CNCCc1ccncc1.
What is the InChIKey of 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide?
The InChIKey is FFADWOLWGVXNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-10-14(16(17)20)2-3-15(12)11-19-9-6-13-4-7-18-8-5-13/h2-5,7-8,10,19H,6,9,11H2,1H3,(H2,17,20).
What are the key properties of 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide?
3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide is sourced from PubChem (CID 114479915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).