N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide

C23H32ClN5O2 — CID 55815661

About N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide (PubChem CID 55815661) has the molecular formula C23H32ClN5O2 and a molecular weight of 446.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
• PubChem CID: 55815661
• Molecular Formula: C23H32ClN5O2
• Molecular Weight: 446.00 g/mol
• Exact Mass: 445.22
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
• SMILES: Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
• InChI: InChI=1S/C23H32ClN5O2/c1-15(2)13-29-17(4)20(16(3)27-29)8-10-22(30)28-11-5-6-18(14-28)23(31)26-21-9-7-19(24)12-25-21/h7,9,12,15,18H,5-6,8,10-11,13-14H2,1-4H3,(H,25,26,31)
• InChIKey: OBFITWVHNIOWGB-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.00
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide (CID 55815661) is N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide?

The InChIKey is OBFITWVHNIOWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O2/c1-15(2)13-29-17(4)20(16(3)27-29)8-10-22(30)28-11-5-6-18(14-28)23(31)26-21-9-7-19(24)12-25-21/h7,9,12,15,18H,5-6,8,10-11,13-14H2,1-4H3,(H,25,26,31).

What are the key properties of N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide?

N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide has a molecular weight of 446.00 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 55815661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).