ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate

C20H19N3O4 — CID 109231605

IUPACethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cncc(NCc3ccco3)c2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-26-20(25)14-5-7-16(8-6-14)23-19(24)15-10-17(12-21-11-15)22-13-18-4-3-9-27-18/h3-12,22H,2,13H2,1H3,(H,23,24)
InChIKeySBFGPOAOSKTXRR-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.72
Rot. Bonds7

About ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate

ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109231605) 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-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109231605
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cncc(NCc3ccco3)c2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-26-20(25)14-5-7-16(8-6-14)23-19(24)15-10-17(12-21-11-15)22-13-18-4-3-9-27-18/h3-12,22H,2,13H2,1H3,(H,23,24)
InChIKeySBFGPOAOSKTXRR-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-2-carbonyl]amino]benzoate
CID 109187796
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
5-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231569
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231628
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059
N-(3,5-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231615
5-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231563
N-(2-ethylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231536
N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231539
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231602

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate (CID 109231605) is ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cncc(NCc3ccco3)c2)cc1.
What is the InChIKey of ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is SBFGPOAOSKTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-26-20(25)14-5-7-16(8-6-14)23-19(24)15-10-17(12-21-11-15)22-13-18-4-3-9-27-18/h3-12,22H,2,13H2,1H3,(H,23,24).
What are the key properties of ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate?
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-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-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109231605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).