N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide

C22H21N3O2 — CID 157020169

IUPACN-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide
SMILESCC(=O)NCc1ccnc(CNC(=O)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C22H21N3O2/c1-16(26)24-14-17-11-12-23-19(13-17)15-25-22(27)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXBSJJRACTMPBBI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.31
Rot. Bonds6

About N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide

N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide (PubChem CID 157020169) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide
PubChem CID157020169
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide
SMILESCC(=O)NCc1ccnc(CNC(=O)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C22H21N3O2/c1-16(26)24-14-17-11-12-23-19(13-17)15-25-22(27)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXBSJJRACTMPBBI-UHFFFAOYSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide
CID 69053992
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
1-methyl-6-oxo-N-[(2-phenyl-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 166265710
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 110121992
N-[[4-[(ethylsulfonylamino)methyl]-2-pyridinyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 162637581
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621

Frequently Asked Questions

What is the IUPAC name of N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide?
The IUPAC name of N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide (CID 157020169) is N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide.
What is the SMILES notation for N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide?
The canonical SMILES for N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide is CC(=O)NCc1ccnc(CNC(=O)c2ccccc2-c2ccccc2)c1.
What is the InChIKey of N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide?
The InChIKey is XBSJJRACTMPBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16(26)24-14-17-11-12-23-19(13-17)15-25-22(27)21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide?
N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide has a molecular weight of 359.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(acetamidomethyl)-2-pyridinyl]methyl]-2-phenylbenzamide is sourced from PubChem (CID 157020169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).