N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide

C24H24N6O2 — CID 11553706

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C24H24N6O2/c1-15-7-8-16(23(31)29-21-13-20(32-30-21)24(2,3)4)12-19(15)28-22-17(6-5-10-26-22)18-9-11-25-14-27-18/h5-14H,1-4H3,(H,26,28)(H,29,30,31)
InChIKeySWZJDEQDXVKPTB-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.13
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide (PubChem CID 11553706) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
PubChem CID11553706
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C24H24N6O2/c1-15-7-8-16(23(31)29-21-13-20(32-30-21)24(2,3)4)12-19(15)28-22-17(6-5-10-26-22)18-9-11-25-14-27-18/h5-14H,1-4H3,(H,26,28)(H,29,30,31)
InChIKeySWZJDEQDXVKPTB-UHFFFAOYSA-N
XLogP5.13
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide with MolForge

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Related Compounds

3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-isoxazol-3-yl-4-methylbenzamide
CID 11660832
3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-isoxazol-3-yl-4-methylbenzamide
CID 11668884
3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-isoxazol-3-yl-4-methylbenzamide
CID 11710888
3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-isoxazol-3-yl-4-methylbenzamide
CID 11235063
4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
CID 11617856
4-(4-Morpholinylamino)benzoic acid
CID 16730109
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 54761162
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide
CID 54761676
6-cyclopropyl-N-(5-phenyl-1,2-oxazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329533
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)nicotinamide
CID 46883364
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)isonicotinamide
CID 46883365
5-amino-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxamide
CID 52943788

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide (CID 11553706) is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide is Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncccc1-c1ccncn1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
The InChIKey is SWZJDEQDXVKPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-7-8-16(23(31)29-21-13-20(32-30-21)24(2,3)4)12-19(15)28-22-17(6-5-10-26-22)18-9-11-25-14-27-18/h5-14H,1-4H3,(H,26,28)(H,29,30,31).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide has a molecular weight of 428.50 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 11553706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).