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

C21H23N5O2 — CID 11717788

IUPAC4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
SMILESCNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)n1
InChIInChI=1S/C21H23N5O2/c1-21(2,3)15-7-5-13(6-8-15)18(27)25-17-11-14(12-24-19(17)28)16-9-10-23-20(22-4)26-16/h5-12H,1-4H3,(H,24,28)(H,25,27)(H,22,23,26)
InChIKeySMVCWIMBXSBRIJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.42
Rot. Bonds4

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

4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide (PubChem CID 11717788) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
PubChem CID11717788
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
SMILESCNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)n1
InChIInChI=1S/C21H23N5O2/c1-21(2,3)15-7-5-13(6-8-15)18(27)25-17-11-14(12-24-19(17)28)16-9-10-23-20(22-4)26-16/h5-12H,1-4H3,(H,24,28)(H,25,27)(H,22,23,26)
InChIKeySMVCWIMBXSBRIJ-UHFFFAOYSA-N
XLogP3.42
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 11718719
4-tert-butyl-N-[2-oxo-5-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyridin-3-yl]benzamide
CID 11510298
N-[5-[2-(2-aminoethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261390
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-(4-nitrosophenyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 88849005
N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide
CID 148543420
N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261360
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide
CID 58205176
4-cyano-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 11536964
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[5-[6-(methylamino)pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692546
4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 58692666

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide (CID 11717788) is 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide is CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)n1.
What is the InChIKey of 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide?
The InChIKey is SMVCWIMBXSBRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-21(2,3)15-7-5-13(6-8-15)18(27)25-17-11-14(12-24-19(17)28)16-9-10-23-20(22-4)26-16/h5-12H,1-4H3,(H,24,28)(H,25,27)(H,22,23,26).
What are the key properties of 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide?
4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide has a molecular weight of 377.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide is sourced from PubChem (CID 11717788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).