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

C16H20N4O — CID 63360832

IUPAC4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NC(C)c2ccncc2)c1
InChIInChI=1S/C16H20N4O/c1-3-19-16(21)13-4-5-14(17)15(10-13)20-11(2)12-6-8-18-9-7-12/h4-11,20H,3,17H2,1-2H3,(H,19,21)
InChIKeyULKPURGKKCNKMB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.59
Rot. Bonds5

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

4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide (PubChem CID 63360832) 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-4-ylethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide
PubChem CID63360832
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NC(C)c2ccncc2)c1
InChIInChI=1S/C16H20N4O/c1-3-19-16(21)13-4-5-14(17)15(10-13)20-11(2)12-6-8-18-9-7-12/h4-11,20H,3,17H2,1-2H3,(H,19,21)
InChIKeyULKPURGKKCNKMB-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'}

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Related Compounds

4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 63360788
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide
CID 63358537
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide
CID 63361049
4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 81409737
4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide
CID 63981201
4-amino-3-anilino-N-ethylbenzamide
CID 55188757
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
3-amino-4-[[(1S)-1-phenylethyl]amino]-N-propylbenzamide
CID 100621942

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide (CID 63360832) is 4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide is CCNC(=O)c1ccc(N)c(NC(C)c2ccncc2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide?
The InChIKey is ULKPURGKKCNKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-19-16(21)13-4-5-14(17)15(10-13)20-11(2)12-6-8-18-9-7-12/h4-11,20H,3,17H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide?
4-amino-N-ethyl-3-(1-pyridin-4-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-4-ylethylamino)benzamide is sourced from PubChem (CID 63360832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).