4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide

C16H20N4O — CID 63360788

IUPAC4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NC(C)c2cccnc2)c1
InChIInChI=1S/C16H20N4O/c1-3-19-16(21)12-6-7-14(17)15(9-12)20-11(2)13-5-4-8-18-10-13/h4-11,20H,3,17H2,1-2H3,(H,19,21)
InChIKeyISNHFQISPUZQMK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.59
Rot. Bonds5

About 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide

4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide (PubChem CID 63360788) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
PubChem CID63360788
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NC(C)c2cccnc2)c1
InChIInChI=1S/C16H20N4O/c1-3-19-16(21)12-6-7-14(17)15(9-12)20-11(2)13-5-4-8-18-10-13/h4-11,20H,3,17H2,1-2H3,(H,19,21)
InChIKeyISNHFQISPUZQMK-UHFFFAOYSA-N
XLogP2.59
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)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

4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide
CID 63360832
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
methyl 4-fluoro-3-(1-pyridin-3-ylethylamino)benzoate
CID 43684479
3-amino-N-ethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzamide
CID 106387707
4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357263
4-amino-3-anilino-N-ethylbenzamide
CID 55188757
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide (CID 63360788) is 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide is CCNC(=O)c1ccc(N)c(NC(C)c2cccnc2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide?
The InChIKey is ISNHFQISPUZQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-19-16(21)12-6-7-14(17)15(9-12)20-11(2)13-5-4-8-18-10-13/h4-11,20H,3,17H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide?
4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide is sourced from PubChem (CID 63360788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).