ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate

C19H17N3O4 — CID 113021798

IUPACethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)c3ccco3)cn2)cc1
InChIInChI=1S/C19H17N3O4/c1-2-25-19(24)13-5-7-14(8-6-13)21-17-10-9-15(12-20-17)22-18(23)16-4-3-11-26-16/h3-12H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyHSZWZPHKTBGNNP-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.85
Rot. Bonds6

About ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate

ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate (PubChem CID 113021798) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate
PubChem CID113021798
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nameethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)c3ccco3)cn2)cc1
InChIInChI=1S/C19H17N3O4/c1-2-25-19(24)13-5-7-14(8-6-13)21-17-10-9-15(12-20-17)22-18(23)16-4-3-11-26-16/h3-12H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyHSZWZPHKTBGNNP-UHFFFAOYSA-N
XLogP3.85
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
N-[6-(3,4-dimethylanilino)-3-pyridinyl]furan-2-carboxamide
CID 113016955
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide
CID 113020477
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
N-[6-(3-fluoroanilino)-3-pyridinyl]furan-2-carboxamide
CID 113021264
ethyl 6-(4-aminoanilino)pyridine-3-carboxylate
CID 63214956
N-[5-(butanoylamino)-2-pyridinyl]furan-2-carboxamide
CID 1452808
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109187796
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate (CID 113021798) is ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccc(Nc2ccc(NC(=O)c3ccco3)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate?
The InChIKey is HSZWZPHKTBGNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-25-19(24)13-5-7-14(8-6-13)21-17-10-9-15(12-20-17)22-18(23)16-4-3-11-26-16/h3-12H,2H2,1H3,(H,20,21)(H,22,23).
What are the key properties of ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate?
ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate has a molecular weight of 351.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113021798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).