methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate

C16H17N3O4 — CID 113020643

IUPACmethyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C16H17N3O4/c1-3-23-16(21)18-11-8-9-14(17-10-11)19-13-7-5-4-6-12(13)15(20)22-2/h4-10H,3H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyOCEFDXMQNCROST-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.18
Rot. Bonds5

About methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate

methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate (PubChem CID 113020643) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
PubChem CID113020643
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C16H17N3O4/c1-3-23-16(21)18-11-8-9-14(17-10-11)19-13-7-5-4-6-12(13)15(20)22-2/h4-10H,3H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyOCEFDXMQNCROST-UHFFFAOYSA-N
XLogP3.18
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
ethyl 2-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]amino]benzoate
CID 113022585
methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020650
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533
methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
CID 113020658
methyl 2-[[6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866797

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate (CID 113020643) is methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate is CCOC(=O)Nc1ccc(Nc2ccccc2C(=O)OC)nc1.
What is the InChIKey of methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate?
The InChIKey is OCEFDXMQNCROST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-23-16(21)18-11-8-9-14(17-10-11)19-13-7-5-4-6-12(13)15(20)22-2/h4-10H,3H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate?
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate has a molecular weight of 315.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113020643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).