N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide

C26H19Cl2N3O — CID 10456942

IUPACN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide
SMILESCc1cn(Cc2ccc3ccccc3c2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C26H19Cl2N3O/c1-16-14-31(15-17-6-7-18-4-2-3-5-19(18)10-17)24-11-20(8-9-21(16)24)26(32)30-25-22(27)12-29-13-23(25)28/h2-14H,15H2,1H3,(H,29,30,32)
InChIKeyGWKPSIAHYYAQIR-UHFFFAOYSA-N
MW460.36 g/mol
LogP7.11
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide

N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide (PubChem CID 10456942) has the molecular formula C26H19Cl2N3O and a molecular weight of 460.36 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide
PubChem CID10456942
Molecular FormulaC26H19Cl2N3O
Molecular Weight460.36 g/mol
Exact Mass459.09
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide
SMILESCc1cn(Cc2ccc3ccccc3c2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C26H19Cl2N3O/c1-16-14-31(15-17-6-7-18-4-2-3-5-19(18)10-17)24-11-20(8-9-21(16)24)26(32)30-25-22(27)12-29-13-23(25)28/h2-14H,15H2,1H3,(H,29,30,32)
InChIKeyGWKPSIAHYYAQIR-UHFFFAOYSA-N
XLogP7.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide (CID 10456942) is N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide is Cc1cn(Cc2ccc3ccccc3c2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide?
The InChIKey is GWKPSIAHYYAQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O/c1-16-14-31(15-17-6-7-18-4-2-3-5-19(18)10-17)24-11-20(8-9-21(16)24)26(32)30-25-22(27)12-29-13-23(25)28/h2-14H,15H2,1H3,(H,29,30,32).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide has a molecular weight of 460.36 g/mol, XLogP of 7.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide is sourced from PubChem (CID 10456942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).