N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide

C21H20N2O — CID 60584634

IUPACN-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)/N=c2/ccccn2Cc2ccccc2)c1
InChIInChI=1S/C21H20N2O/c1-16-12-17(2)14-19(13-16)21(24)22-20-10-6-7-11-23(20)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3/b22-20-
InChIKeyLBXDRJAPAOQWPY-XDOYNYLZSA-N
MW316.40 g/mol
LogP3.89
Rot. Bonds3

About N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide

N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide (PubChem CID 60584634) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide
PubChem CID60584634
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)/N=c2/ccccn2Cc2ccccc2)c1
InChIInChI=1S/C21H20N2O/c1-16-12-17(2)14-19(13-16)21(24)22-20-10-6-7-11-23(20)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3/b22-20-
InChIKeyLBXDRJAPAOQWPY-XDOYNYLZSA-N
XLogP3.89
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide
CID 60605361
N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide
CID 134012890
N-(1-benzyl-2-pyridinylidene)-4-methyl-3-nitrobenzamide
CID 60584673
N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844755
N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide
CID 55395487
N-(1-benzyl-2-pyridinylidene)imidazo[1,2-a]pyridine-6-carboxamide
CID 56785417
4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-nitrobenzamide
CID 51212999
N-(1-benzyl-2-pyridinylidene)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 31249090
N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058760
N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide
CID 42947145
N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide
CID 43039299
N-(1-benzyl-2-pyridinylidene)-4-imidazol-1-yl-3-nitrobenzamide
CID 78813527

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide (CID 60584634) is N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)/N=c2/ccccn2Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide?
The InChIKey is LBXDRJAPAOQWPY-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H20N2O/c1-16-12-17(2)14-19(13-16)21(24)22-20-10-6-7-11-23(20)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3/b22-20-.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide?
N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide has a molecular weight of 316.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide is sourced from PubChem (CID 60584634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).