4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide

C21H21N3O2 — CID 11581044

IUPAC4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1
InChIInChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)
InChIKeyGJYHDNFJPKFHRH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.99
Rot. Bonds3

About 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide

4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide (PubChem CID 11581044) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
PubChem CID11581044
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1
InChIInChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)
InChIKeyGJYHDNFJPKFHRH-UHFFFAOYSA-N
XLogP3.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Bupicomide
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(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(pyridin-4-yl)phenyl]ethyl]amino}pentanamide
CID 10194354

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide (CID 11581044) is 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The InChIKey is GJYHDNFJPKFHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 11581044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).