5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one

C22H22ClN5O2 — CID 95806697

About 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one

5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 95806697) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one
• PubChem CID: 95806697
• Molecular Formula: C22H22ClN5O2
• Molecular Weight: 423.90 g/mol
• Exact Mass: 423.15
• IUPAC Name: 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one
• SMILES: Cn1cc(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)ccc1=O
• InChI: InChI=1S/C22H22ClN5O2/c1-27-12-16(6-9-19(27)29)21(30)28-10-2-3-15(13-28)20-18(11-25-22(24)26-20)14-4-7-17(23)8-5-14/h4-9,11-12,15H,2-3,10,13H2,1H3,(H2,24,25,26)/t15-/m1/s1
• InChIKey: GUCGBHIMWFKGGH-OAHLLOKOSA-N
• XLogP: 3.10
• TPSA: 94.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.90
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one?

The IUPAC name of 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 95806697) is 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one.

What is the SMILES notation for 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one?

The canonical SMILES for 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)ccc1=O.

What is the InChIKey of 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one?

The InChIKey is GUCGBHIMWFKGGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-27-12-16(6-9-19(27)29)21(30)28-10-2-3-15(13-28)20-18(11-25-22(24)26-20)14-4-7-17(23)8-5-14/h4-9,11-12,15H,2-3,10,13H2,1H3,(H2,24,25,26)/t15-/m1/s1.

What are the key properties of 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one?

5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 423.90 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 95806697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).