(5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine

C26H36N2O — CID 143580169

IUPAC(5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine
SMILESCCCc1nc(C(C)C)ccc1-c1ccc2c(n1)C(C)=CCC(CCOC)[C@H]2C
InChIInChI=1S/C26H36N2O/c1-7-8-24-22(12-13-23(27-24)17(2)3)25-14-11-21-19(5)20(15-16-29-6)10-9-18(4)26(21)28-25/h9,11-14,17,19-20H,7-8,10,15-16H2,1-6H3/t19-,20?/m1/s1
InChIKeyNEJOVUCWOVXDJO-FIWHBWSRSA-N
MW392.59 g/mol
LogP6.78
Rot. Bonds7

About (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine

(5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine (PubChem CID 143580169) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name(5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine
PubChem CID143580169
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name(5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine
SMILESCCCc1nc(C(C)C)ccc1-c1ccc2c(n1)C(C)=CCC(CCOC)[C@H]2C
InChIInChI=1S/C26H36N2O/c1-7-8-24-22(12-13-23(27-24)17(2)3)25-14-11-21-19(5)20(15-16-29-6)10-9-18(4)26(21)28-25/h9,11-14,17,19-20H,7-8,10,15-16H2,1-6H3/t19-,20?/m1/s1
InChIKeyNEJOVUCWOVXDJO-FIWHBWSRSA-N
XLogP6.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine?
The IUPAC name of (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine (CID 143580169) is (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine is CCCc1nc(C(C)C)ccc1-c1ccc2c(n1)C(C)=CCC(CCOC)[C@H]2C.
What is the InChIKey of (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine?
The InChIKey is NEJOVUCWOVXDJO-FIWHBWSRSA-N. The full InChI is InChI=1S/C26H36N2O/c1-7-8-24-22(12-13-23(27-24)17(2)3)25-14-11-21-19(5)20(15-16-29-6)10-9-18(4)26(21)28-25/h9,11-14,17,19-20H,7-8,10,15-16H2,1-6H3/t19-,20?/m1/s1.
What are the key properties of (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine?
(5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine has a molecular weight of 392.59 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 143580169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).