N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

C16H14Cl2N2O3 — CID 71698811

IUPACN-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESCOc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc21
InChIInChI=1S/C16H14Cl2N2O3/c1-22-14-6-9(17)5-13(18)11(14)7-20-15(21)12-8-23-16-10(12)3-2-4-19-16/h2-6,12H,7-8H2,1H3,(H,20,21)
InChIKeyQNYCUCZHDGLXEE-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.19
Rot. Bonds4

About N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (PubChem CID 71698811) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
PubChem CID71698811
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESCOc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc21
InChIInChI=1S/C16H14Cl2N2O3/c1-22-14-6-9(17)5-13(18)11(14)7-20-15(21)12-8-23-16-10(12)3-2-4-19-16/h2-6,12H,7-8H2,1H3,(H,20,21)
InChIKeyQNYCUCZHDGLXEE-UHFFFAOYSA-N
XLogP3.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (CID 71698811) is N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is COc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc21.
What is the InChIKey of N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is QNYCUCZHDGLXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-22-14-6-9(17)5-13(18)11(14)7-20-15(21)12-8-23-16-10(12)3-2-4-19-16/h2-6,12H,7-8H2,1H3,(H,20,21).
What are the key properties of N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71698811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).