2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide

C23H24N4O3 — CID 5308858

IUPAC2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)no1
InChIInChI=1S/C23H24N4O3/c1-14-12-19(25-30-14)24-22(28)17-13-27(15-8-4-3-5-9-15)23(29)21-20(17)16-10-6-7-11-18(16)26(21)2/h6-7,10-13,15H,3-5,8-9H2,1-2H3,(H,24,25,28)
InChIKeyNEWJHSZFLJTXCP-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.55
Rot. Bonds3

About 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide

2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 5308858) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID5308858
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)no1
InChIInChI=1S/C23H24N4O3/c1-14-12-19(25-30-14)24-22(28)17-13-27(15-8-4-3-5-9-15)23(29)21-20(17)16-10-6-7-11-18(16)26(21)2/h6-7,10-13,15H,3-5,8-9H2,1-2H3,(H,24,25,28)
InChIKeyNEWJHSZFLJTXCP-UHFFFAOYSA-N
XLogP4.55
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 5308858) is 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide is Cc1cc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)no1.
What is the InChIKey of 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is NEWJHSZFLJTXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-12-19(25-30-14)24-22(28)17-13-27(15-8-4-3-5-9-15)23(29)21-20(17)16-10-6-7-11-18(16)26(21)2/h6-7,10-13,15H,3-5,8-9H2,1-2H3,(H,24,25,28).
What are the key properties of 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide?
2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 5308858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).