ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate

C20H19N3O4 — CID 109187796

IUPACethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NCc3ccco3)cn2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-26-20(25)14-5-7-15(8-6-14)23-19(24)18-10-9-16(12-22-18)21-13-17-4-3-11-27-17/h3-12,21H,2,13H2,1H3,(H,23,24)
InChIKeyRUJLBIVGQDRLFN-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.72
Rot. Bonds7

About ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate

ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109187796) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109187796
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NCc3ccco3)cn2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-26-20(25)14-5-7-15(8-6-14)23-19(24)18-10-9-16(12-22-18)21-13-17-4-3-11-27-17/h3-12,21H,2,13H2,1H3,(H,23,24)
InChIKeyRUJLBIVGQDRLFN-UHFFFAOYSA-N
XLogP3.72
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109231605
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
N-(3,4-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187803
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059
N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109180640
5-(furan-2-ylmethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109187758
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
(3S)-4-(4-ethoxycarbonylanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 1077880
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187810
ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113021798
N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255161
ethyl 4-[[5-(3,4-difluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200789

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate (CID 109187796) is ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(NCc3ccco3)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is RUJLBIVGQDRLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-26-20(25)14-5-7-15(8-6-14)23-19(24)18-10-9-16(12-22-18)21-13-17-4-3-11-27-17/h3-12,21H,2,13H2,1H3,(H,23,24).
What are the key properties of ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate?
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.72, 7 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-ylmethylamino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109187796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).