[2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate

C25H29N5O5 — CID 163227682

IUPAC[2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate
SMILESCC(=O)OCC(C)(C)Nc1ncc(-c2cc(C(=O)Nc3ccon3)ccc2C)cc1C(=O)N(C)C
InChIInChI=1S/C25H29N5O5/c1-15-7-8-17(23(32)27-21-9-10-35-29-21)11-19(15)18-12-20(24(33)30(5)6)22(26-13-18)28-25(3,4)14-34-16(2)31/h7-13H,14H2,1-6H3,(H,26,28)(H,27,29,32)
InChIKeyPVSYUUPGMIRDRZ-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.75
Rot. Bonds8

About [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate

[2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate (PubChem CID 163227682) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate.

Molecular Properties

Compound Name[2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate
PubChem CID163227682
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name[2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate
SMILESCC(=O)OCC(C)(C)Nc1ncc(-c2cc(C(=O)Nc3ccon3)ccc2C)cc1C(=O)N(C)C
InChIInChI=1S/C25H29N5O5/c1-15-7-8-17(23(32)27-21-9-10-35-29-21)11-19(15)18-12-20(24(33)30(5)6)22(26-13-18)28-25(3,4)14-34-16(2)31/h7-13H,14H2,1-6H3,(H,26,28)(H,27,29,32)
InChIKeyPVSYUUPGMIRDRZ-UHFFFAOYSA-N
XLogP3.75
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate with MolForge

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Related Compounds

lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide
CID 155700158
N-cyclopropyl-5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 163227722
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 163227753
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide
CID 163227803
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(methylamino)-3-pyridinyl]-4-methylbenzamide
CID 163227607
6-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62903794
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide
CID 70860455
5-(1,2-oxazol-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 62904120
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate?
The IUPAC name of [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate (CID 163227682) is [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate.
What is the SMILES notation for [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate?
The canonical SMILES for [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate is CC(=O)OCC(C)(C)Nc1ncc(-c2cc(C(=O)Nc3ccon3)ccc2C)cc1C(=O)N(C)C.
What is the InChIKey of [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate?
The InChIKey is PVSYUUPGMIRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-15-7-8-17(23(32)27-21-9-10-35-29-21)11-19(15)18-12-20(24(33)30(5)6)22(26-13-18)28-25(3,4)14-34-16(2)31/h7-13H,14H2,1-6H3,(H,26,28)(H,27,29,32).
What are the key properties of [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate?
[2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate has a molecular weight of 479.54 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate is sourced from PubChem (CID 163227682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).