methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate

C18H14ClN3O4 — CID 113035446

IUPACmethyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Nc2ccc(NC(=O)c3ccco3)nc2)c1
InChIInChI=1S/C18H14ClN3O4/c1-25-18(24)11-4-6-13(19)14(9-11)21-12-5-7-16(20-10-12)22-17(23)15-3-2-8-26-15/h2-10,21H,1H3,(H,20,22,23)
InChIKeyPSQQXDVBSRWTJW-UHFFFAOYSA-N
MW371.78 g/mol
LogP4.11
Rot. Bonds5

About methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate

methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate (PubChem CID 113035446) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate
PubChem CID113035446
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Namemethyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Nc2ccc(NC(=O)c3ccco3)nc2)c1
InChIInChI=1S/C18H14ClN3O4/c1-25-18(24)11-4-6-13(19)14(9-11)21-12-5-7-16(20-10-12)22-17(23)15-3-2-8-26-15/h2-10,21H,1H3,(H,20,22,23)
InChIKeyPSQQXDVBSRWTJW-UHFFFAOYSA-N
XLogP4.11
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate with MolForge

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Related Compounds

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
methyl 4-chloro-3-[[6-(2-ethylbutanoylamino)-3-pyridinyl]amino]benzoate
CID 113035445
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032100
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032758
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417
methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155349
N-[5-(propan-2-ylamino)-2-pyridinyl]furan-2-carboxamide
CID 113023557
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113034810
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate (CID 113035446) is methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate is COC(=O)c1ccc(Cl)c(Nc2ccc(NC(=O)c3ccco3)nc2)c1.
What is the InChIKey of methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate?
The InChIKey is PSQQXDVBSRWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-25-18(24)11-4-6-13(19)14(9-11)21-12-5-7-16(20-10-12)22-17(23)15-3-2-8-26-15/h2-10,21H,1H3,(H,20,22,23).
What are the key properties of methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate?
methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate has a molecular weight of 371.78 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 113035446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).