1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide

C24H27Cl2N3O — CID 22663341

IUPAC1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
SMILESCc1cn(CCCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C24H27Cl2N3O/c1-16-15-29(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)28-23-20(25)13-27-14-21(23)26/h9-10,12-15,17H,2-8,11H2,1H3,(H,27,28,30)
InChIKeyVYLHRODYBXCVOV-UHFFFAOYSA-N
MW444.41 g/mol
LogP7.26
Rot. Bonds6

About 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide

1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide (PubChem CID 22663341) has the molecular formula C24H27Cl2N3O and a molecular weight of 444.41 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
PubChem CID22663341
Molecular FormulaC24H27Cl2N3O
Molecular Weight444.41 g/mol
Exact Mass443.15
IUPAC Name1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
SMILESCc1cn(CCCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C24H27Cl2N3O/c1-16-15-29(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)28-23-20(25)13-27-14-21(23)26/h9-10,12-15,17H,2-8,11H2,1H3,(H,27,28,30)
InChIKeyVYLHRODYBXCVOV-UHFFFAOYSA-N
XLogP7.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide?
The IUPAC name of 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide (CID 22663341) is 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide?
The canonical SMILES for 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide is Cc1cn(CCCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12.
What is the InChIKey of 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide?
The InChIKey is VYLHRODYBXCVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O/c1-16-15-29(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)28-23-20(25)13-27-14-21(23)26/h9-10,12-15,17H,2-8,11H2,1H3,(H,27,28,30).
What are the key properties of 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide?
1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 7.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide is sourced from PubChem (CID 22663341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).