methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate

C17H18N2O3 — CID 84598042

IUPACmethyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)C(NC(=O)c1cc(C)ccc1C)c1cccnc1
InChIInChI=1S/C17H18N2O3/c1-11-6-7-12(2)14(9-11)16(20)19-15(17(21)22-3)13-5-4-8-18-10-13/h4-10,15H,1-3H3,(H,19,20)
InChIKeyPXTCPVVHVDOOSB-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.34
Rot. Bonds4

About methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate

methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate (PubChem CID 84598042) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate
PubChem CID84598042
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)C(NC(=O)c1cc(C)ccc1C)c1cccnc1
InChIInChI=1S/C17H18N2O3/c1-11-6-7-12(2)14(9-11)16(20)19-15(17(21)22-3)13-5-4-8-18-10-13/h4-10,15H,1-3H3,(H,19,20)
InChIKeyPXTCPVVHVDOOSB-UHFFFAOYSA-N
XLogP2.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate?
The IUPAC name of methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate (CID 84598042) is methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate?
The canonical SMILES for methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate is COC(=O)C(NC(=O)c1cc(C)ccc1C)c1cccnc1.
What is the InChIKey of methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate?
The InChIKey is PXTCPVVHVDOOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-6-7-12(2)14(9-11)16(20)19-15(17(21)22-3)13-5-4-8-18-10-13/h4-10,15H,1-3H3,(H,19,20).
What are the key properties of methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate?
methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate has a molecular weight of 298.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylbenzoyl)amino]-2-pyridin-3-ylacetate is sourced from PubChem (CID 84598042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).