3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide

C20H20N4O — CID 113027886

IUPAC3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3ccncc3)cn2)cc1C
InChIInChI=1S/C20H20N4O/c1-14-3-4-17(11-15(14)2)20(25)24-19-6-5-18(13-23-19)22-12-16-7-9-21-10-8-16/h3-11,13,22H,12H2,1-2H3,(H,23,24,25)
InChIKeyMYUAYYZMXVPTKJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.96
Rot. Bonds5

About 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide

3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide (PubChem CID 113027886) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide
PubChem CID113027886
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCc3ccncc3)cn2)cc1C
InChIInChI=1S/C20H20N4O/c1-14-3-4-17(11-15(14)2)20(25)24-19-6-5-18(13-23-19)22-12-16-7-9-21-10-8-16/h3-11,13,22H,12H2,1-2H3,(H,23,24,25)
InChIKeyMYUAYYZMXVPTKJ-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
CID 113012926
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide
CID 113013026
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
CID 113028411
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113027861
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717
3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026605

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide (CID 113027886) is 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NCc3ccncc3)cn2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide?
The InChIKey is MYUAYYZMXVPTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-3-4-17(11-15(14)2)20(25)24-19-6-5-18(13-23-19)22-12-16-7-9-21-10-8-16/h3-11,13,22H,12H2,1-2H3,(H,23,24,25).
What are the key properties of 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide?
3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113027886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).