(5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

C21H26N6O2 — CID 29158723

About (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

(5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 29158723) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 29158723
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c1
• InChI: InChI=1S/C21H26N6O2/c1-12-8-13(2)10-14(9-12)23-20(29)15-11-16(28)24-19-17(15)18(22)25-21(26-19)27-6-4-3-5-7-27/h8-10,15H,3-7,11H2,1-2H3,(H,23,29)(H3,22,24,25,26,28)/t15-/m1/s1
• InChIKey: BCPXVLJVUNWEFR-OAHLLOKOSA-N
• XLogP: 2.73
• TPSA: 113.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 29158723) is (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c1.

What is the InChIKey of (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is BCPXVLJVUNWEFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-12-8-13(2)10-14(9-12)23-20(29)15-11-16(28)24-19-17(15)18(22)25-21(26-19)27-6-4-3-5-7-27/h8-10,15H,3-7,11H2,1-2H3,(H,23,29)(H3,22,24,25,26,28)/t15-/m1/s1.

What are the key properties of (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?

(5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 29158723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).