ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate

C18H17N3O4 — CID 155809665

IUPACethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate
SMILESCCO/C=N/c1c(C(=O)Nc2ccc(OC)cc2)oc2ncccc12
InChIInChI=1S/C18H17N3O4/c1-3-24-11-20-15-14-5-4-10-19-18(14)25-16(15)17(22)21-12-6-8-13(23-2)9-7-12/h4-11H,3H2,1-2H3,(H,21,22)/b20-11+
InChIKeyXETSNVRDQWJMNN-RGVLZGJSSA-N
MW339.35 g/mol
LogP3.79
Rot. Bonds6

About ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate

ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate (PubChem CID 155809665) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate.

Molecular Properties

Compound Nameethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate
PubChem CID155809665
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Nameethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate
SMILESCCO/C=N/c1c(C(=O)Nc2ccc(OC)cc2)oc2ncccc12
InChIInChI=1S/C18H17N3O4/c1-3-24-11-20-15-14-5-4-10-19-18(14)25-16(15)17(22)21-12-6-8-13(23-2)9-7-12/h4-11H,3H2,1-2H3,(H,21,22)/b20-11+
InChIKeyXETSNVRDQWJMNN-RGVLZGJSSA-N
XLogP3.79
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-methoxyphenyl)furo[2,3-b]pyridine-2-carboxamide
CID 155808175
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
CID 21354016
ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
CID 89059407
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate?
The IUPAC name of ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate (CID 155809665) is ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate.
What is the SMILES notation for ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate?
The canonical SMILES for ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate is CCO/C=N/c1c(C(=O)Nc2ccc(OC)cc2)oc2ncccc12.
What is the InChIKey of ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate?
The InChIKey is XETSNVRDQWJMNN-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-24-11-20-15-14-5-4-10-19-18(14)25-16(15)17(22)21-12-6-8-13(23-2)9-7-12/h4-11H,3H2,1-2H3,(H,21,22)/b20-11+.
What are the key properties of ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate?
ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate has a molecular weight of 339.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(4-methoxyphenyl)carbamoyl]furo[2,3-b]pyridin-3-yl]methanimidate is sourced from PubChem (CID 155809665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).