6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide

C18H20N2O2 — CID 68791499

IUPAC6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)cn1
InChIInChI=1S/C18H20N2O2/c1-22-17-10-9-15(12-19-17)18(21)20-16-8-4-7-13-5-2-3-6-14(13)11-16/h2-3,5-6,9-10,12,16H,4,7-8,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyJLMZPGGAMGYNLG-INIZCTEOSA-N
MW296.37 g/mol
LogP2.77
Rot. Bonds3

About 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide

6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide (PubChem CID 68791499) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide
PubChem CID68791499
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)cn1
InChIInChI=1S/C18H20N2O2/c1-22-17-10-9-15(12-19-17)18(21)20-16-8-4-7-13-5-2-3-6-14(13)11-16/h2-3,5-6,9-10,12,16H,4,7-8,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyJLMZPGGAMGYNLG-INIZCTEOSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide (CID 68791499) is 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide is COc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)cn1.
What is the InChIKey of 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide?
The InChIKey is JLMZPGGAMGYNLG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-10-9-15(12-19-17)18(21)20-16-8-4-7-13-5-2-3-6-14(13)11-16/h2-3,5-6,9-10,12,16H,4,7-8,11H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide?
6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68791499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).