methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate

C17H13ClN2O4 — CID 22677410

IUPACmethyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc3ccccc3o2)cc(NC(C)=O)c1Cl
InChIInChI=1S/C17H13ClN2O4/c1-9(21)19-12-8-11(20-16(15(12)18)17(22)23-2)14-7-10-5-3-4-6-13(10)24-14/h3-8H,1-2H3,(H,19,20,21)
InChIKeyDAJUKFWOWUSBIT-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.89
Rot. Bonds3

About methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate

methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate (PubChem CID 22677410) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate
PubChem CID22677410
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Namemethyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc3ccccc3o2)cc(NC(C)=O)c1Cl
InChIInChI=1S/C17H13ClN2O4/c1-9(21)19-12-8-11(20-16(15(12)18)17(22)23-2)14-7-10-5-3-4-6-13(10)24-14/h3-8H,1-2H3,(H,19,20,21)
InChIKeyDAJUKFWOWUSBIT-UHFFFAOYSA-N
XLogP3.89
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
CID 123968717
methyl 5-acetyl-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106696043
6-(4-acetamido-5-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
CID 90416355
methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate
CID 68599187
methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 103199790
CID 141403656
CID 141403656
methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
CID 142760620
methyl 4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylate
CID 68600593
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 80572975
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
CID 71059270
N-[3,6-dichloro-2-(1-methoxyethenyl)-4-pyridinyl]acetamide
CID 146259289

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate?
The IUPAC name of methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate (CID 22677410) is methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate?
The canonical SMILES for methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate is COC(=O)c1nc(-c2cc3ccccc3o2)cc(NC(C)=O)c1Cl.
What is the InChIKey of methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate?
The InChIKey is DAJUKFWOWUSBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-9(21)19-12-8-11(20-16(15(12)18)17(22)23-2)14-7-10-5-3-4-6-13(10)24-14/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate?
methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate has a molecular weight of 344.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate is sourced from PubChem (CID 22677410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).