1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide

C23H25Cl2N3O — CID 10094201

IUPAC1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
SMILESCc1cn(CCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C23H25Cl2N3O/c1-15-14-28(10-9-16-5-3-2-4-6-16)21-11-17(7-8-18(15)21)23(29)27-22-19(24)12-26-13-20(22)25/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,26,27,29)
InChIKeyMYBHWAVLLSQXOM-UHFFFAOYSA-N
MW430.38 g/mol
LogP6.87
Rot. Bonds5

About 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide

1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide (PubChem CID 10094201) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
PubChem CID10094201
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC Name1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
SMILESCc1cn(CCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C23H25Cl2N3O/c1-15-14-28(10-9-16-5-3-2-4-6-16)21-11-17(7-8-18(15)21)23(29)27-22-19(24)12-26-13-20(22)25/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,26,27,29)
InChIKeyMYBHWAVLLSQXOM-UHFFFAOYSA-N
XLogP6.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide?
The IUPAC name of 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide (CID 10094201) is 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide.
What is the SMILES notation for 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide?
The canonical SMILES for 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide is Cc1cn(CCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12.
What is the InChIKey of 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide?
The InChIKey is MYBHWAVLLSQXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O/c1-15-14-28(10-9-16-5-3-2-4-6-16)21-11-17(7-8-18(15)21)23(29)27-22-19(24)12-26-13-20(22)25/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,26,27,29).
What are the key properties of 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide?
1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide has a molecular weight of 430.38 g/mol, XLogP of 6.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide is sourced from PubChem (CID 10094201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).