methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate

C19H16ClN3O4 — CID 109231412

IUPACmethyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Nc2cncc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C19H16ClN3O4/c1-26-19(25)12-4-5-16(20)17(8-12)23-14-7-13(9-21-10-14)18(24)22-11-15-3-2-6-27-15/h2-10,23H,11H2,1H3,(H,22,24)
InChIKeyYLRMGVKRDQCIEV-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.79
Rot. Bonds6

About methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate

methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate (PubChem CID 109231412) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
PubChem CID109231412
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Namemethyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Nc2cncc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C19H16ClN3O4/c1-26-19(25)12-4-5-16(20)17(8-12)23-14-7-13(9-21-10-14)18(24)22-11-15-3-2-6-27-15/h2-10,23H,11H2,1H3,(H,22,24)
InChIKeyYLRMGVKRDQCIEV-UHFFFAOYSA-N
XLogP3.79
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231446
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231384
5-N-(2,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104953
5-N-(2-chlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104909
methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109245987
N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109231371
methyl 4-chloro-3-[[3-(furan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112947469
methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155349
N-(furan-2-ylmethyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109231433
5-(furan-2-ylmethylamino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227645
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate (CID 109231412) is methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate is COC(=O)c1ccc(Cl)c(Nc2cncc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate?
The InChIKey is YLRMGVKRDQCIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-26-19(25)12-4-5-16(20)17(8-12)23-14-7-13(9-21-10-14)18(24)22-11-15-3-2-6-27-15/h2-10,23H,11H2,1H3,(H,22,24).
What are the key properties of methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate?
methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate has a molecular weight of 385.81 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109231412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).