2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide

C26H24N4O — CID 166907955

IUPAC2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide
SMILESO=C(CNc1ccccc1)Nc1cccc(-c2cncc(NCc3ccccc3)c2)c1
InChIInChI=1S/C26H24N4O/c31-26(19-29-23-11-5-2-6-12-23)30-24-13-7-10-21(14-24)22-15-25(18-27-17-22)28-16-20-8-3-1-4-9-20/h1-15,17-18,28-29H,16,19H2,(H,30,31)
InChIKeyQINRIQSTDULHSB-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.41
Rot. Bonds8

About 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide

2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide (PubChem CID 166907955) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide
PubChem CID166907955
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide
SMILESO=C(CNc1ccccc1)Nc1cccc(-c2cncc(NCc3ccccc3)c2)c1
InChIInChI=1S/C26H24N4O/c31-26(19-29-23-11-5-2-6-12-23)30-24-13-7-10-21(14-24)22-15-25(18-27-17-22)28-16-20-8-3-1-4-9-20/h1-15,17-18,28-29H,16,19H2,(H,30,31)
InChIKeyQINRIQSTDULHSB-UHFFFAOYSA-N
XLogP5.41
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 170070351
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CID 11537045
2-anilino-N-(4-pyridin-4-ylphenyl)acetamide
CID 15981382
3,3-dimethyl-N-(5-phenyl-3-pyridinyl)butanamide
CID 110713731
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
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CID 68947843
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide
CID 136516074
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide (CID 166907955) is 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide is O=C(CNc1ccccc1)Nc1cccc(-c2cncc(NCc3ccccc3)c2)c1.
What is the InChIKey of 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide?
The InChIKey is QINRIQSTDULHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-26(19-29-23-11-5-2-6-12-23)30-24-13-7-10-21(14-24)22-15-25(18-27-17-22)28-16-20-8-3-1-4-9-20/h1-15,17-18,28-29H,16,19H2,(H,30,31).
What are the key properties of 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide?
2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide has a molecular weight of 408.51 g/mol, XLogP of 5.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 166907955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).