5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide

C19H19ClN2O2 — CID 129488175

IUPAC5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cncc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c20-15-9-14(11-21-12-15)18(23)22-17-16-4-2-1-3-13(16)10-19(17)5-7-24-8-6-19/h1-4,9,11-12,17H,5-8,10H2,(H,22,23)/t17-/m0/s1
InChIKeyRFSVVZVQTFOSCC-KRWDZBQOSA-N
MW342.83 g/mol
LogP3.56
Rot. Bonds2

About 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide

5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide (PubChem CID 129488175) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide
PubChem CID129488175
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cncc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c20-15-9-14(11-21-12-15)18(23)22-17-16-4-2-1-3-13(16)10-19(17)5-7-24-8-6-19/h1-4,9,11-12,17H,5-8,10H2,(H,22,23)/t17-/m0/s1
InChIKeyRFSVVZVQTFOSCC-KRWDZBQOSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide (CID 129488175) is 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide is O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide?
The InChIKey is RFSVVZVQTFOSCC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-15-9-14(11-21-12-15)18(23)22-17-16-4-2-1-3-13(16)10-19(17)5-7-24-8-6-19/h1-4,9,11-12,17H,5-8,10H2,(H,22,23)/t17-/m0/s1.
What are the key properties of 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide?
5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129488175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).