N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide

C22H22N2O — CID 110409246

IUPACN-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
SMILESCc1ccc(CNC(=O)C(Cc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O/c1-17-9-11-18(12-10-17)16-24-22(25)21(20-7-3-2-4-8-20)14-19-6-5-13-23-15-19/h2-13,15,21H,14,16H2,1H3,(H,24,25)
InChIKeyWMYBPFHCFOOBSI-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.03
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide

N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide (PubChem CID 110409246) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
PubChem CID110409246
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
SMILESCc1ccc(CNC(=O)C(Cc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O/c1-17-9-11-18(12-10-17)16-24-22(25)21(20-7-3-2-4-8-20)14-19-6-5-13-23-15-19/h2-13,15,21H,14,16H2,1H3,(H,24,25)
InChIKeyWMYBPFHCFOOBSI-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110627067
N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110610135
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110632380
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296450
3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
CID 162386460
N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110647997
N-(2-phenoxyethoxy)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110632945
(2R)-2-(diethylamino)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 95151104
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110630506

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide (CID 110409246) is N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide is Cc1ccc(CNC(=O)C(Cc2cccnc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide?
The InChIKey is WMYBPFHCFOOBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17-9-11-18(12-10-17)16-24-22(25)21(20-7-3-2-4-8-20)14-19-6-5-13-23-15-19/h2-13,15,21H,14,16H2,1H3,(H,24,25).
What are the key properties of N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide?
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide has a molecular weight of 330.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110409246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).