N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide

C16H13ClN2O2 — CID 16906931

IUPACN-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccccc3Cl)cc2n1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-14-13(19-10)8-15(21-14)16(20)18-9-11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H,18,20)
InChIKeyZWKMCHNEEBMNOF-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.72
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide (PubChem CID 16906931) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
PubChem CID16906931
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccccc3Cl)cc2n1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-14-13(19-10)8-15(21-14)16(20)18-9-11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H,18,20)
InChIKeyZWKMCHNEEBMNOF-UHFFFAOYSA-N
XLogP3.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide (CID 16906931) is N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide is Cc1ccc2oc(C(=O)NCc3ccccc3Cl)cc2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZWKMCHNEEBMNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-6-7-14-13(19-10)8-15(21-14)16(20)18-9-11-4-2-3-5-12(11)17/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16906931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).