N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide

C24H19N3O2 — CID 113021208

IUPACN-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1)c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-24(18-7-3-1-4-8-18)27-20-13-16-23(25-17-20)26-19-11-14-22(15-12-19)29-21-9-5-2-6-10-21/h1-17H,(H,25,26)(H,27,28)
InChIKeyRQDKEWZFJXRFIZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.87
Rot. Bonds6

About N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide

N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide (PubChem CID 113021208) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
PubChem CID113021208
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1)c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-24(18-7-3-1-4-8-18)27-20-13-16-23(25-17-20)26-19-11-14-22(15-12-19)29-21-9-5-2-6-10-21/h1-17H,(H,25,26)(H,27,28)
InChIKeyRQDKEWZFJXRFIZ-UHFFFAOYSA-N
XLogP5.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021986
N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113021203
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
N-[6-(dimethylamino)-3-pyridinyl]-4-phenoxybenzamide
CID 30273384
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[5-(4-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034337
N-(6-anilino-3-pyridinyl)-2-hydroxybenzamide
CID 110176412
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
CID 113017964
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(6-anilino-3-pyridinyl)-2-cyanopyridine-4-carboxamide
CID 119050608
N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide
CID 113035819

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide?
The IUPAC name of N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide (CID 113021208) is N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1)c1ccccc1.
What is the InChIKey of N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide?
The InChIKey is RQDKEWZFJXRFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-24(18-7-3-1-4-8-18)27-20-13-16-23(25-17-20)26-19-11-14-22(15-12-19)29-21-9-5-2-6-10-21/h1-17H,(H,25,26)(H,27,28).
What are the key properties of N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide?
N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113021208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).