methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate

C23H23N3O4 — CID 10001334

IUPACmethyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate
SMILESCOCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1
InChIInChI=1S/C23H23N3O4/c1-29-15-21(27)26-20-8-5-13-24-22(20)25-14-16-9-11-17(12-10-16)18-6-3-4-7-19(18)23(28)30-2/h3-13H,14-15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyZLYBATPQQQIGSX-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.73
Rot. Bonds8

About methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate

methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate (PubChem CID 10001334) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate
PubChem CID10001334
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Namemethyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate
SMILESCOCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1
InChIInChI=1S/C23H23N3O4/c1-29-15-21(27)26-20-8-5-13-24-22(20)25-14-16-9-11-17(12-10-16)18-6-3-4-7-19(18)23(28)30-2/h3-13H,14-15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyZLYBATPQQQIGSX-UHFFFAOYSA-N
XLogP3.73
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate with MolForge

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Related Compounds

methyl 2-chloro-6-[4-[(1R)-1-[[4-chloro-3-[(2-cyanoacetyl)amino]-2-pyridinyl]amino]ethyl]phenyl]benzoate
CID 11386138
methyl 2-[4-[(1R)-1-[[4-chloro-3-[(2-cyanoacetyl)amino]-2-pyridinyl]amino]ethyl]phenyl]-6-fluorobenzoate
CID 11442712
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-pyridin-4-ylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 11620871
methyl 4-chloro-2-[4-[(1R)-1-[[4-chloro-3-[(2-cyanoacetyl)amino]-2-pyridinyl]amino]ethyl]phenyl]benzoate
CID 11167607
Methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridinyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
CID 44411294
Methyl 2-[4-[[[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-pyridinyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
CID 44411452
2-(3-Oxo-1,3-dihydroisobenzofuran-5-ylamino)-6-(3-acetamidophenyl)pyrazine
CID 11717449
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 16047262
(2S)-3-[[2-[(3R,5S)-1-phenylmethoxycarbonyl-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 16756505
Methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 44401932
4''-[(3-Pentanoylamino-pyridin-2-ylamino)-methyl]-biphenyl-2-carboxylic acid methyl ester
CID 44402075
2-amino-5-[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118278

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate?
The IUPAC name of methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate (CID 10001334) is methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate.
What is the SMILES notation for methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate?
The canonical SMILES for methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate is COCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate?
The InChIKey is ZLYBATPQQQIGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-15-21(27)26-20-8-5-13-24-22(20)25-14-16-9-11-17(12-10-16)18-6-3-4-7-19(18)23(28)30-2/h3-13H,14-15H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate?
methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate has a molecular weight of 405.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[[3-[(2-methoxyacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate is sourced from PubChem (CID 10001334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).