3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide

C16H20N4O — CID 82183845

IUPAC3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C16H20N4O/c1-2-20(10-7-12-5-8-19-9-6-12)16(21)13-3-4-14(17)15(18)11-13/h3-6,8-9,11H,2,7,10,17-18H2,1H3
InChIKeyVMYAOLZNFOYMKT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.95
Rot. Bonds5

About 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide

3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 82183845) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID82183845
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C16H20N4O/c1-2-20(10-7-12-5-8-19-9-6-12)16(21)13-3-4-14(17)15(18)11-13/h3-6,8-9,11H,2,7,10,17-18H2,1H3
InChIKeyVMYAOLZNFOYMKT-UHFFFAOYSA-N
XLogP1.95
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692317
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
CID 22181353
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide
CID 110678066
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide
CID 110600687
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide (CID 82183845) is 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide is CCN(CCc1ccncc1)C(=O)c1ccc(N)c(N)c1.
What is the InChIKey of 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is VMYAOLZNFOYMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-20(10-7-12-5-8-19-9-6-12)16(21)13-3-4-14(17)15(18)11-13/h3-6,8-9,11H,2,7,10,17-18H2,1H3.
What are the key properties of 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 82183845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).