2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide

C20H19N3O — CID 121165448

IUPAC2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)c(C)c1
InChIInChI=1S/C20H19N3O/c1-14-3-4-18(15(2)11-14)20(24)23-13-16-5-10-22-19(12-16)17-6-8-21-9-7-17/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyNIDIYSCIZJCYPV-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.69
Rot. Bonds4

About 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide

2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide (PubChem CID 121165448) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
PubChem CID121165448
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)c(C)c1
InChIInChI=1S/C20H19N3O/c1-14-3-4-18(15(2)11-14)20(24)23-13-16-5-10-22-19(12-16)17-6-8-21-9-7-17/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyNIDIYSCIZJCYPV-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 121165300
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286
4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165392
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165596
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
CID 121165322
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide (CID 121165448) is 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is NIDIYSCIZJCYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-3-4-18(15(2)11-14)20(24)23-13-16-5-10-22-19(12-16)17-6-8-21-9-7-17/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121165448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).