N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide

C26H22N4O2 — CID 1279662

IUPACN-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C26H22N4O2/c31-25(29-17-19-7-5-13-27-15-19)23-11-3-1-9-21(23)22-10-2-4-12-24(22)26(32)30-18-20-8-6-14-28-16-20/h1-16H,17-18H2,(H,29,31)(H,30,32)
InChIKeyKPPQTTDLMGBYKX-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.00
Rot. Bonds7

About N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide

N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 1279662) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID1279662
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C26H22N4O2/c31-25(29-17-19-7-5-13-27-15-19)23-11-3-1-9-21(23)22-10-2-4-12-24(22)26(32)30-18-20-8-6-14-28-16-20/h1-16H,17-18H2,(H,29,31)(H,30,32)
InChIKeyKPPQTTDLMGBYKX-UHFFFAOYSA-N
XLogP4.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-isocyanato-N-(pyridin-3-ylmethyl)benzamide
CID 169352552
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide (CID 1279662) is N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide is O=C(NCc1cccnc1)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is KPPQTTDLMGBYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-25(29-17-19-7-5-13-27-15-19)23-11-3-1-9-21(23)22-10-2-4-12-24(22)26(32)30-18-20-8-6-14-28-16-20/h1-16H,17-18H2,(H,29,31)(H,30,32).
What are the key properties of N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 1279662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).