N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide

C16H14ClFN2O2 — CID 71698894

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCOc2ncccc21
InChIInChI=1S/C16H14ClFN2O2/c17-14-8-11(18)4-3-10(14)9-20-15(21)12-5-7-22-16-13(12)2-1-6-19-16/h1-4,6,8,12H,5,7,9H2,(H,20,21)
InChIKeyRJRVAQBBIXMFOZ-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.06
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide (PubChem CID 71698894) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
PubChem CID71698894
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCOc2ncccc21
InChIInChI=1S/C16H14ClFN2O2/c17-14-8-11(18)4-3-10(14)9-20-15(21)12-5-7-22-16-13(12)2-1-6-19-16/h1-4,6,8,12H,5,7,9H2,(H,20,21)
InChIKeyRJRVAQBBIXMFOZ-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide (CID 71698894) is N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1CCOc2ncccc21.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The InChIKey is RJRVAQBBIXMFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-14-8-11(18)4-3-10(14)9-20-15(21)12-5-7-22-16-13(12)2-1-6-19-16/h1-4,6,8,12H,5,7,9H2,(H,20,21).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide has a molecular weight of 320.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 71698894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).