2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide

C26H24N4O2 — CID 71715864

IUPAC2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(C#N)n(C(C)c3ccccc3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C26H24N4O2/c1-16-13-17(2)29-25(31)21(16)15-28-26(32)24-20-11-7-8-12-22(20)30(23(24)14-27)18(3)19-9-5-4-6-10-19/h4-13,18H,15H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyULLISAVWLKWVTG-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.36
Rot. Bonds5

About 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide

2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide (PubChem CID 71715864) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide
PubChem CID71715864
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(C#N)n(C(C)c3ccccc3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C26H24N4O2/c1-16-13-17(2)29-25(31)21(16)15-28-26(32)24-20-11-7-8-12-22(20)30(23(24)14-27)18(3)19-9-5-4-6-10-19/h4-13,18H,15H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyULLISAVWLKWVTG-UHFFFAOYSA-N
XLogP4.36
TPSA90.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide?
The IUPAC name of 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide (CID 71715864) is 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide.
What is the SMILES notation for 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide?
The canonical SMILES for 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide is Cc1cc(C)c(CNC(=O)c2c(C#N)n(C(C)c3ccccc3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide?
The InChIKey is ULLISAVWLKWVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-16-13-17(2)29-25(31)21(16)15-28-26(32)24-20-11-7-8-12-22(20)30(23(24)14-27)18(3)19-9-5-4-6-10-19/h4-13,18H,15H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide?
2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide is sourced from PubChem (CID 71715864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).