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

C22H21N3O3 — CID 88849005

IUPAC4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccc(N=O)cc3)c[nH]c2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-22(2,3)17-8-4-15(5-9-17)20(26)24-19-12-16(13-23-21(19)27)14-6-10-18(25-28)11-7-14/h4-13H,1-3H3,(H,23,27)(H,24,26)
InChIKeyNLRUCOGUOOFAHB-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.99
Rot. Bonds4

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

4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide (PubChem CID 88849005) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide
PubChem CID88849005
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccc(N=O)cc3)c[nH]c2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-22(2,3)17-8-4-15(5-9-17)20(26)24-19-12-16(13-23-21(19)27)14-6-10-18(25-28)11-7-14/h4-13H,1-3H3,(H,23,27)(H,24,26)
InChIKeyNLRUCOGUOOFAHB-UHFFFAOYSA-N
XLogP4.99
TPSA91.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692562
4-tert-butyl-N-[5-(6-chloro-3-methyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692648
4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 11717788
1-tert-butyl-4-(4-nitrosophenyl)benzene
CID 3025980
4-tert-butyl-N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 11718719
N-[3-tert-butyl-2-methoxy-5-(6-oxo-1H-pyridazin-5-yl)phenyl]-4-nitrosobenzamide
CID 88570256
4-cyano-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 11536964
4-tert-butyl-N-[2-oxo-5-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyridin-3-yl]benzamide
CID 11510298
4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid
CID 117074156
4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 58692666
4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 58692567
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide (CID 88849005) is 4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccc(N=O)cc3)c[nH]c2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide?
The InChIKey is NLRUCOGUOOFAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-22(2,3)17-8-4-15(5-9-17)20(26)24-19-12-16(13-23-21(19)27)14-6-10-18(25-28)11-7-14/h4-13H,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide?
4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide is sourced from PubChem (CID 88849005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).