1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide

C24H32ClN5O4S — CID 155658313

About 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide

1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide (PubChem CID 155658313) has the molecular formula C24H32ClN5O4S and a molecular weight of 522.07 g/mol. Its IUPAC name is 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide
• PubChem CID: 155658313
• Molecular Formula: C24H32ClN5O4S
• Molecular Weight: 522.07 g/mol
• Exact Mass: 521.19
• IUPAC Name: 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide
• SMILES: CC(C)CN(c1ccc(C2(C(=O)NS(C)(=O)=O)CC2)nc1Nc1ccc(Cl)cn1)C1CCOCC1
• InChI: InChI=1S/C24H32ClN5O4S/c1-16(2)15-30(18-8-12-34-13-9-18)19-5-6-20(24(10-11-24)23(31)29-35(3,32)33)27-22(19)28-21-7-4-17(25)14-26-21/h4-7,14,16,18H,8-13,15H2,1-3H3,(H,29,31)(H,26,27,28)
• InChIKey: ILVIAHBLNSANGP-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 113.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.07
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide?

The IUPAC name of 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide (CID 155658313) is 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide.

What is the SMILES notation for 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide?

The canonical SMILES for 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide is CC(C)CN(c1ccc(C2(C(=O)NS(C)(=O)=O)CC2)nc1Nc1ccc(Cl)cn1)C1CCOCC1.

What is the InChIKey of 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide?

The InChIKey is ILVIAHBLNSANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O4S/c1-16(2)15-30(18-8-12-34-13-9-18)19-5-6-20(24(10-11-24)23(31)29-35(3,32)33)27-22(19)28-21-7-4-17(25)14-26-21/h4-7,14,16,18H,8-13,15H2,1-3H3,(H,29,31)(H,26,27,28).

What are the key properties of 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide?

1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide has a molecular weight of 522.07 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(5-chloro-2-pyridinyl)amino]-5-[2-methylpropyl(oxan-4-yl)amino]-2-pyridinyl]-N-methylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 155658313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).