methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate

C16H17N3O4 — CID 113020771

IUPACmethyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C(=O)OC)cc2)nc1
InChIInChI=1S/C16H17N3O4/c1-3-23-16(21)19-13-8-9-14(17-10-13)18-12-6-4-11(5-7-12)15(20)22-2/h4-10H,3H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyWRSKBNAKZMPVEI-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.18
Rot. Bonds5

About methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate

methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate (PubChem CID 113020771) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
PubChem CID113020771
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C(=O)OC)cc2)nc1
InChIInChI=1S/C16H17N3O4/c1-3-23-16(21)19-13-8-9-14(17-10-13)18-12-6-4-11(5-7-12)15(20)22-2/h4-10H,3H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyWRSKBNAKZMPVEI-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

methyl 4-[[5-(butanoylamino)-2-pyridinyl]amino]benzoate
CID 113020725
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164188
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
ethyl 6-(4-aminoanilino)pyridine-3-carboxylate
CID 63214956
ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113021798
ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate (CID 113020771) is methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate is CCOC(=O)Nc1ccc(Nc2ccc(C(=O)OC)cc2)nc1.
What is the InChIKey of methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate?
The InChIKey is WRSKBNAKZMPVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-23-16(21)19-13-8-9-14(17-10-13)18-12-6-4-11(5-7-12)15(20)22-2/h4-10H,3H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate?
methyl 4-[[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 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113020771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).