2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide

C20H19N3O — CID 112983118

IUPAC2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C20H19N3O/c1-15-4-2-3-5-19(15)20(24)23-18-8-6-17(7-9-18)22-14-16-10-12-21-13-11-16/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyVBWRDTKNBXEOMT-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.25
Rot. Bonds5

About 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide

2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide (PubChem CID 112983118) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
PubChem CID112983118
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C20H19N3O/c1-15-4-2-3-5-19(15)20(24)23-18-8-6-17(7-9-18)22-14-16-10-12-21-13-11-16/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyVBWRDTKNBXEOMT-UHFFFAOYSA-N
XLogP4.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide
CID 112981783
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
2-methyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1139481
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide
CID 112980901
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide (CID 112983118) is 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(NCc2ccncc2)cc1.
What is the InChIKey of 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The InChIKey is VBWRDTKNBXEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-4-2-3-5-19(15)20(24)23-18-8-6-17(7-9-18)22-14-16-10-12-21-13-11-16/h2-13,22H,14H2,1H3,(H,23,24).
What are the key properties of 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 112983118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).