2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide

C40H46ClN7O5 — CID 169195532

About 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide

2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide (PubChem CID 169195532) has the molecular formula C40H46ClN7O5 and a molecular weight of 740.31 g/mol. Its IUPAC name is 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide
• PubChem CID: 169195532
• Molecular Formula: C40H46ClN7O5
• Molecular Weight: 740.31 g/mol
• Exact Mass: 739.32
• IUPAC Name: 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide
• SMILES: N#Cc1ccc(O)cc1Cl.O=C1CCN(c2cccc3c2ccn3C2CCN(CCCCOc3ccc(C(=O)NC4CCCCC4)nc3)CC2)C(=O)N1
• InChI: InChI=1S/C33H42N6O4.C7H4ClNO/c40-31-16-21-39(33(42)36-31)30-10-6-9-29-27(30)15-20-38(29)25-13-18-37(19-14-25)17-4-5-22-43-26-11-12-28(34-23-26)32(41)35-24-7-2-1-3-8-24;8-7-3-6(10)2-1-5(7)4-9/h6,9-12,15,20,23-25H,1-5,7-8,13-14,16-19,21-22H2,(H,35,41)(H,36,40,42);1-3,10H
• InChIKey: JPXQPNBHJZBMRN-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 152.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.31
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide?

The IUPAC name of 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide (CID 169195532) is 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide.

What is the SMILES notation for 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide?

The canonical SMILES for 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide is N#Cc1ccc(O)cc1Cl.O=C1CCN(c2cccc3c2ccn3C2CCN(CCCCOc3ccc(C(=O)NC4CCCCC4)nc3)CC2)C(=O)N1.

What is the InChIKey of 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide?

The InChIKey is JPXQPNBHJZBMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O4.C7H4ClNO/c40-31-16-21-39(33(42)36-31)30-10-6-9-29-27(30)15-20-38(29)25-13-18-37(19-14-25)17-4-5-22-43-26-11-12-28(34-23-26)32(41)35-24-7-2-1-3-8-24;8-7-3-6(10)2-1-5(7)4-9/h6,9-12,15,20,23-25H,1-5,7-8,13-14,16-19,21-22H2,(H,35,41)(H,36,40,42);1-3,10H.

What are the key properties of 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide?

2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide has a molecular weight of 740.31 g/mol, XLogP of 6.96, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-5-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]butoxy]pyridine-2-carboxamide is sourced from PubChem (CID 169195532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).