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

C22H23N3O2 — CID 58692562

IUPAC4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
SMILESCc1ccncc1-c1c[nH]c(=O)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-14-9-10-23-13-18(14)16-11-19(21(27)24-12-16)25-20(26)15-5-7-17(8-6-15)22(2,3)4/h5-13H,1-4H3,(H,24,27)(H,25,26)
InChIKeyZKICNCQEKDUFCZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.30
Rot. Bonds3

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

4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide (PubChem CID 58692562) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
PubChem CID58692562
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
SMILESCc1ccncc1-c1c[nH]c(=O)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-14-9-10-23-13-18(14)16-11-19(21(27)24-12-16)25-20(26)15-5-7-17(8-6-15)22(2,3)4/h5-13H,1-4H3,(H,24,27)(H,25,26)
InChIKeyZKICNCQEKDUFCZ-UHFFFAOYSA-N
XLogP4.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 88849005
4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 11717788
4-tert-butyl-N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 11718719
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
N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
CID 63063621
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
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide (CID 58692562) is 4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide is Cc1ccncc1-c1c[nH]c(=O)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide?
The InChIKey is ZKICNCQEKDUFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-9-10-23-13-18(14)16-11-19(21(27)24-12-16)25-20(26)15-5-7-17(8-6-15)22(2,3)4/h5-13H,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide?
4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 4.30, 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-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide is sourced from PubChem (CID 58692562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).