N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide

C25H35ClN6O — CID 75586465

About N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide

N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 75586465) has the molecular formula C25H35ClN6O and a molecular weight of 471.05 g/mol. Its IUPAC name is N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide
• PubChem CID: 75586465
• Molecular Formula: C25H35ClN6O
• Molecular Weight: 471.05 g/mol
• Exact Mass: 470.26
• IUPAC Name: N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide
• SMILES: Cc1cc(NCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cnc1NC(=O)C(C)(C)C
• InChI: InChI=1S/C25H35ClN6O/c1-16-11-20(15-28-22(16)31-23(33)25(2,3)4)27-8-5-18-12-21(18)17-6-9-32(10-7-17)24-29-13-19(26)14-30-24/h11,13-15,17-18,21,27H,5-10,12H2,1-4H3,(H,28,31,33)
• InChIKey: CAYCKQUSKCSEGQ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.05
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide (CID 75586465) is N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide is Cc1cc(NCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cnc1NC(=O)C(C)(C)C.

What is the InChIKey of N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide?

The InChIKey is CAYCKQUSKCSEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN6O/c1-16-11-20(15-28-22(16)31-23(33)25(2,3)4)27-8-5-18-12-21(18)17-6-9-32(10-7-17)24-29-13-19(26)14-30-24/h11,13-15,17-18,21,27H,5-10,12H2,1-4H3,(H,28,31,33).

What are the key properties of N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide?

N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 471.05 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 75586465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).