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

C20H24N6O2 — CID 17228947

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

4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 17228947) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 17228947
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: 4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: Nc1nc(N2CCCCC2)nc2c1C(C(=O)NCc1ccccc1)CC(=O)N2
• InChI: InChI=1S/C20H24N6O2/c21-17-16-14(19(28)22-12-13-7-3-1-4-8-13)11-15(27)23-18(16)25-20(24-17)26-9-5-2-6-10-26/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,22,28)(H3,21,23,24,25,27)
• InChIKey: KFSNZBRMYVDJRA-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 113.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 17228947) is 4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

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

The canonical SMILES for 4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Nc1nc(N2CCCCC2)nc2c1C(C(=O)NCc1ccccc1)CC(=O)N2.

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

The InChIKey is KFSNZBRMYVDJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c21-17-16-14(19(28)22-12-13-7-3-1-4-8-13)11-15(27)23-18(16)25-20(24-17)26-9-5-2-6-10-26/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,22,28)(H3,21,23,24,25,27).

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

4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 17228947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).