2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide

C21H20N4O2 — CID 91816099

IUPAC2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCc2ccc(-c3cccnc3)nc2)cc1
InChIInChI=1S/C21H20N4O2/c1-15(26)25-19-7-4-16(5-8-19)11-21(27)24-13-17-6-9-20(23-12-17)18-3-2-10-22-14-18/h2-10,12,14H,11,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyWSSBINMPILYWNQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide

2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide (PubChem CID 91816099) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
PubChem CID91816099
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCc2ccc(-c3cccnc3)nc2)cc1
InChIInChI=1S/C21H20N4O2/c1-15(26)25-19-7-4-16(5-8-19)11-21(27)24-13-17-6-9-20(23-12-17)18-3-2-10-22-14-18/h2-10,12,14H,11,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyWSSBINMPILYWNQ-UHFFFAOYSA-N
XLogP2.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625907
2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625896
2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749070
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110342205
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide (CID 91816099) is 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide is CC(=O)Nc1ccc(CC(=O)NCc2ccc(-c3cccnc3)nc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is WSSBINMPILYWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15(26)25-19-7-4-16(5-8-19)11-21(27)24-13-17-6-9-20(23-12-17)18-3-2-10-22-14-18/h2-10,12,14H,11,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91816099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).