4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide

C14H16N4O2 — CID 82796373

IUPAC4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide
SMILESCCOc1ccc(Nc2cc(C(N)=O)ccc2N)cn1
InChIInChI=1S/C14H16N4O2/c1-2-20-13-6-4-10(8-17-13)18-12-7-9(14(16)19)3-5-11(12)15/h3-8,18H,2,15H2,1H3,(H2,16,19)
InChIKeyLOLXRZLWFDFDJS-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide

4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide (PubChem CID 82796373) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide
PubChem CID82796373
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide
SMILESCCOc1ccc(Nc2cc(C(N)=O)ccc2N)cn1
InChIInChI=1S/C14H16N4O2/c1-2-20-13-6-4-10(8-17-13)18-12-7-9(14(16)19)3-5-11(12)15/h3-8,18H,2,15H2,1H3,(H2,16,19)
InChIKeyLOLXRZLWFDFDJS-UHFFFAOYSA-N
XLogP1.90
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(6-ethoxy-3-pyridinyl)-3-methoxybenzamide
CID 104783111
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
4-amino-3-(4-methylsulfonylanilino)benzamide
CID 63355958
4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
CID 82785480
4-amino-3-(3-iodoanilino)benzamide
CID 63355912
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
ethyl 4-amino-3-[(1-ethylpyrazol-4-yl)amino]benzoate
CID 82785137
ethyl 4-(2-amino-5-chloroanilino)benzoate
CID 69243688
4-amino-3-(3-ethoxypropylamino)benzamide
CID 63355784
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
4-amino-3-propoxybenzamide
CID 63356295

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide?
The IUPAC name of 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide (CID 82796373) is 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide is CCOc1ccc(Nc2cc(C(N)=O)ccc2N)cn1.
What is the InChIKey of 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide?
The InChIKey is LOLXRZLWFDFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-20-13-6-4-10(8-17-13)18-12-7-9(14(16)19)3-5-11(12)15/h3-8,18H,2,15H2,1H3,(H2,16,19).
What are the key properties of 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide?
4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide has a molecular weight of 272.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(6-ethoxy-3-pyridinyl)amino]benzamide is sourced from PubChem (CID 82796373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).