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

C20H19N3O — CID 2993697

IUPAC3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCc3ccncc3)cc2)c1
InChIInChI=1S/C20H19N3O/c1-15-3-2-4-17(13-15)20(24)23-19-7-5-18(6-8-19)22-14-16-9-11-21-12-10-16/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyINKGZSXJSLTRIP-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.25
Rot. Bonds5

About 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide

3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide (PubChem CID 2993697) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
PubChem CID2993697
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCc3ccncc3)cc2)c1
InChIInChI=1S/C20H19N3O/c1-15-3-2-4-17(13-15)20(24)23-19-7-5-18(6-8-19)22-14-16-9-11-21-12-10-16/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyINKGZSXJSLTRIP-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-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983148
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980083
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide
CID 168582686
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide (CID 2993697) is 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(NCc3ccncc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The InChIKey is INKGZSXJSLTRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-3-2-4-17(13-15)20(24)23-19-7-5-18(6-8-19)22-14-16-9-11-21-12-10-16/h2-13,22H,14H2,1H3,(H,23,24).
What are the key properties of 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
3-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 3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 2993697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).