4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide

C16H20N4O — CID 63361031

IUPAC4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCc2ccccn2)c1
InChIInChI=1S/C16H20N4O/c1-2-18-16(21)12-6-7-14(17)15(11-12)20-10-8-13-5-3-4-9-19-13/h3-7,9,11,20H,2,8,10,17H2,1H3,(H,18,21)
InChIKeyZCYBCTZXGUGQJF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.07
Rot. Bonds6

About 4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide

4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide (PubChem CID 63361031) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide
PubChem CID63361031
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCc2ccccn2)c1
InChIInChI=1S/C16H20N4O/c1-2-18-16(21)12-6-7-14(17)15(11-12)20-10-8-13-5-3-4-9-19-13/h3-7,9,11,20H,2,8,10,17H2,1H3,(H,18,21)
InChIKeyZCYBCTZXGUGQJF-UHFFFAOYSA-N
XLogP2.07
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-pyridin-2-ylethylamino)benzamide
CID 55190342
4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid
CID 82785039
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide
CID 63361152
4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
CID 63360728
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide (CID 63361031) is 4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide is CCNC(=O)c1ccc(N)c(NCCc2ccccn2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide?
The InChIKey is ZCYBCTZXGUGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-18-16(21)12-6-7-14(17)15(11-12)20-10-8-13-5-3-4-9-19-13/h3-7,9,11,20H,2,8,10,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide?
4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.07, 6 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-(2-pyridin-2-ylethylamino)benzamide is sourced from PubChem (CID 63361031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).