N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide

C22H23ClN6O2 — CID 137268111

About N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 137268111) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 137268111
• Molecular Formula: C22H23ClN6O2
• Molecular Weight: 438.92 g/mol
• Exact Mass: 438.16
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide
• SMILES: Cc1nc(-c2ccc(N3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)nc2)[nH]c(=O)c1C
• InChI: InChI=1S/C22H23ClN6O2/c1-13-14(2)26-20(28-21(13)30)15-5-8-19(25-10-15)29-9-3-4-16(12-29)22(31)27-18-7-6-17(23)11-24-18/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,27,31)(H,26,28,30)
• InChIKey: VNSLNEYTNNKJSY-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.92
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide (CID 137268111) is N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide is Cc1nc(-c2ccc(N3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)nc2)[nH]c(=O)c1C.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is VNSLNEYTNNKJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-13-14(2)26-20(28-21(13)30)15-5-8-19(25-10-15)29-9-3-4-16(12-29)22(31)27-18-7-6-17(23)11-24-18/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,27,31)(H,26,28,30).

What are the key properties of N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide?

N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 137268111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).