N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide

C29H30N4O2 — CID 59715215

About N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide

N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide (PubChem CID 59715215) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide
• PubChem CID: 59715215
• Molecular Formula: C29H30N4O2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.24
• IUPAC Name: N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide
• SMILES: CC1CCCCC1C(=O)CNc1ccc(-c2cc3ccc(NC(=O)c4ccccn4)cc3[nH]2)cc1
• InChI: InChI=1S/C29H30N4O2/c1-19-6-2-3-7-24(19)28(34)18-31-22-12-9-20(10-13-22)26-16-21-11-14-23(17-27(21)33-26)32-29(35)25-8-4-5-15-30-25/h4-5,8-17,19,24,31,33H,2-3,6-7,18H2,1H3,(H,32,35)
• InChIKey: QYTRUKDBGZNZTB-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide (CID 59715215) is N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide is CC1CCCCC1C(=O)CNc1ccc(-c2cc3ccc(NC(=O)c4ccccn4)cc3[nH]2)cc1.

What is the InChIKey of N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide?

The InChIKey is QYTRUKDBGZNZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-19-6-2-3-7-24(19)28(34)18-31-22-12-9-20(10-13-22)26-16-21-11-14-23(17-27(21)33-26)32-29(35)25-8-4-5-15-30-25/h4-5,8-17,19,24,31,33H,2-3,6-7,18H2,1H3,(H,32,35).

What are the key properties of N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide?

N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 6.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59715215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).