2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide

C17H22N4O — CID 119946492

IUPAC2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccccc2N)cn1
InChIInChI=1S/C17H22N4O/c1-3-21(4-2)16-10-9-13(11-19-16)12-20-17(22)14-7-5-6-8-15(14)18/h5-11H,3-4,12,18H2,1-2H3,(H,20,22)
InChIKeyQCGGDSUWAXJBEG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.44
Rot. Bonds6

About 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide

2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide (PubChem CID 119946492) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
PubChem CID119946492
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccccc2N)cn1
InChIInChI=1S/C17H22N4O/c1-3-21(4-2)16-10-9-13(11-19-16)12-20-17(22)14-7-5-6-8-15(14)18/h5-11H,3-4,12,18H2,1-2H3,(H,20,22)
InChIKeyQCGGDSUWAXJBEG-UHFFFAOYSA-N
XLogP2.44
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 60516023
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55964551
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342
2-amino-N-[[4-(diethylaminosulfanyl)phenyl]methyl]benzamide
CID 174280143
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340
2-benzylsulfanyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
CID 55849326
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119846374
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55848290
(2R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 94176903
(2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 94176904
2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
CID 119946524

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide (CID 119946492) is 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide is CCN(CC)c1ccc(CNC(=O)c2ccccc2N)cn1.
What is the InChIKey of 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
The InChIKey is QCGGDSUWAXJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-21(4-2)16-10-9-13(11-19-16)12-20-17(22)14-7-5-6-8-15(14)18/h5-11H,3-4,12,18H2,1-2H3,(H,20,22).
What are the key properties of 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 119946492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).