methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate

C20H17N3O5 — CID 109104940

IUPACmethyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C20H17N3O5/c1-27-20(26)13-4-6-16(7-5-13)23-19(25)15-9-14(10-21-11-15)18(24)22-12-17-3-2-8-28-17/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyMLGSMPZLLNWJLF-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.64
Rot. Bonds6

About methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate

methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109104940) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
PubChem CID109104940
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Namemethyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C20H17N3O5/c1-27-20(26)13-4-6-16(7-5-13)23-19(25)15-9-14(10-21-11-15)18(24)22-12-17-3-2-8-28-17/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyMLGSMPZLLNWJLF-UHFFFAOYSA-N
XLogP2.64
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104924
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059
methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109231412
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109231605
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104899
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
5-N-(2-chlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104909
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate (CID 109104940) is methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is MLGSMPZLLNWJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-27-20(26)13-4-6-16(7-5-13)23-19(25)15-9-14(10-21-11-15)18(24)22-12-17-3-2-8-28-17/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate?
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 379.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109104940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).