methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate

C19H16ClN3O4 — CID 109155349

IUPACmethyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NCc3ccco3)nc2)c1
InChIInChI=1S/C19H16ClN3O4/c1-26-19(25)12-4-6-15(20)16(9-12)23-18(24)13-5-7-17(21-10-13)22-11-14-3-2-8-27-14/h2-10H,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyCOBWMVCHRGLRJE-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.98
Rot. Bonds6

About methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate

methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109155349) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109155349
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Namemethyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NCc3ccco3)nc2)c1
InChIInChI=1S/C19H16ClN3O4/c1-26-19(25)12-4-6-15(20)16(9-12)23-18(24)13-5-7-17(21-10-13)22-11-14-3-2-8-27-14/h2-10H,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyCOBWMVCHRGLRJE-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155350
methyl 4-chloro-3-[[3-(furan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112947469
6-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155336
methyl 3-[[5-(furan-2-ylmethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109279589
methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109231412
methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035446
6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109155556
methyl 4-chloro-3-[[4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 124551749
methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165128
methyl 3-[[2-[acetyl(furan-2-ylmethyl)amino]acetyl]amino]-4-chlorobenzoate
CID 113161111
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164660

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate (CID 109155349) is methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NCc3ccco3)nc2)c1.
What is the InChIKey of methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is COBWMVCHRGLRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-26-19(25)12-4-6-15(20)16(9-12)23-18(24)13-5-7-17(21-10-13)22-11-14-3-2-8-27-14/h2-10H,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate?
methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 385.81 g/mol, XLogP of 3.98, 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-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109155349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).