2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide

C20H19N3O — CID 112983139

IUPAC2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C20H19N3O/c24-20(14-16-4-2-1-3-5-16)23-19-8-6-18(7-9-19)22-15-17-10-12-21-13-11-17/h1-13,22H,14-15H2,(H,23,24)
InChIKeyXTDLRKJNGZHAFL-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.87
Rot. Bonds6

About 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide

2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide (PubChem CID 112983139) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
PubChem CID112983139
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C20H19N3O/c24-20(14-16-4-2-1-3-5-16)23-19-8-6-18(7-9-19)22-15-17-10-12-21-13-11-17/h1-13,22H,14-15H2,(H,23,24)
InChIKeyXTDLRKJNGZHAFL-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dipyridin-4-ylacetamide
CID 110468100
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
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CID 46045417
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
CID 112982542
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
2-methyl-1-[4-(pyridin-4-ylmethylamino)phenyl]propan-1-one
CID 95463722
[4-(benzylamino)phenyl]urea
CID 43744943
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide (CID 112983139) is 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide is O=C(Cc1ccccc1)Nc1ccc(NCc2ccncc2)cc1.
What is the InChIKey of 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide?
The InChIKey is XTDLRKJNGZHAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(14-16-4-2-1-3-5-16)23-19-8-6-18(7-9-19)22-15-17-10-12-21-13-11-17/h1-13,22H,14-15H2,(H,23,24).
What are the key properties of 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide?
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 112983139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).