2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide

C25H26N4O2 — CID 20851915

IUPAC2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
SMILESCn1c2ccccc2c2c(C(=O)NCc3ccccn3)cn(C3CCCCC3)c(=O)c21
InChIInChI=1S/C25H26N4O2/c1-28-21-13-6-5-12-19(21)22-20(24(30)27-15-17-9-7-8-14-26-17)16-29(25(31)23(22)28)18-10-3-2-4-11-18/h5-9,12-14,16,18H,2-4,10-11,15H2,1H3,(H,27,30)
InChIKeyQQYHGYOXVKOAJO-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.32
Rot. Bonds4

About 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide

2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide (PubChem CID 20851915) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
PubChem CID20851915
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
SMILESCn1c2ccccc2c2c(C(=O)NCc3ccccn3)cn(C3CCCCC3)c(=O)c21
InChIInChI=1S/C25H26N4O2/c1-28-21-13-6-5-12-19(21)22-20(24(30)27-15-17-9-7-8-14-26-17)16-29(25(31)23(22)28)18-10-3-2-4-11-18/h5-9,12-14,16,18H,2-4,10-11,15H2,1H3,(H,27,30)
InChIKeyQQYHGYOXVKOAJO-UHFFFAOYSA-N
XLogP4.32
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide (CID 20851915) is 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide is Cn1c2ccccc2c2c(C(=O)NCc3ccccn3)cn(C3CCCCC3)c(=O)c21.
What is the InChIKey of 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide?
The InChIKey is QQYHGYOXVKOAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-28-21-13-6-5-12-19(21)22-20(24(30)27-15-17-9-7-8-14-26-17)16-29(25(31)23(22)28)18-10-3-2-4-11-18/h5-9,12-14,16,18H,2-4,10-11,15H2,1H3,(H,27,30).
What are the key properties of 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide?
2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 20851915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).