methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate

C21H18N2O3 — CID 10641303

IUPACmethyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1ccnc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-26-21(25)19(16-10-6-3-7-11-16)23-20(24)17-12-13-22-18(14-17)15-8-4-2-5-9-15/h2-14,19H,1H3,(H,23,24)
InChIKeyDXRBPMXQHHTXJV-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.39
Rot. Bonds5

About methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate

methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate (PubChem CID 10641303) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate
PubChem CID10641303
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namemethyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1ccnc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-26-21(25)19(16-10-6-3-7-11-16)23-20(24)17-12-13-22-18(14-17)15-8-4-2-5-9-15/h2-14,19H,1H3,(H,23,24)
InChIKeyDXRBPMXQHHTXJV-UHFFFAOYSA-N
XLogP3.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate (CID 10641303) is methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate is COC(=O)C(NC(=O)c1ccnc(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate?
The InChIKey is DXRBPMXQHHTXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-21(25)19(16-10-6-3-7-11-16)23-20(24)17-12-13-22-18(14-17)15-8-4-2-5-9-15/h2-14,19H,1H3,(H,23,24).
What are the key properties of methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate?
methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate has a molecular weight of 346.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[(2-phenylpyridine-4-carbonyl)amino]acetate is sourced from PubChem (CID 10641303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).