N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

C16H12ClN3O2 — CID 71699332

IUPACN-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)C2COc3ncccc32)c(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c17-14-6-10(7-18)3-4-11(14)8-20-15(21)13-9-22-16-12(13)2-1-5-19-16/h1-6,13H,8-9H2,(H,20,21)
InChIKeyAPBSBRTWUOTGSH-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.40
Rot. Bonds3

About N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (PubChem CID 71699332) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
PubChem CID71699332
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)C2COc3ncccc32)c(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c17-14-6-10(7-18)3-4-11(14)8-20-15(21)13-9-22-16-12(13)2-1-5-19-16/h1-6,13H,8-9H2,(H,20,21)
InChIKeyAPBSBRTWUOTGSH-UHFFFAOYSA-N
XLogP2.40
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (CID 71699332) is N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is N#Cc1ccc(CNC(=O)C2COc3ncccc32)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is APBSBRTWUOTGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-14-6-10(7-18)3-4-11(14)8-20-15(21)13-9-22-16-12(13)2-1-5-19-16/h1-6,13H,8-9H2,(H,20,21).
What are the key properties of N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-cyanophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71699332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).