4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C21H27N5O3 — CID 171911433

About 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 171911433) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
• PubChem CID: 171911433
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
• SMILES: Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1ncc2c(n1)CCN(C)C2
• InChI: InChI=1S/C21H27N5O3/c1-13-8-17(14-4-3-6-22-9-14)29-21(28)19(13)20(27)24-11-18-23-10-15-12-26(2)7-5-16(15)25-18/h8,10,14,22H,3-7,9,11-12H2,1-2H3,(H,24,27)
• InChIKey: RHXCNTSEOSHNQT-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?

The IUPAC name of 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 171911433) is 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

What is the SMILES notation for 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?

The canonical SMILES for 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1ncc2c(n1)CCN(C)C2.

What is the InChIKey of 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?

The InChIKey is RHXCNTSEOSHNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-13-8-17(14-4-3-6-22-9-14)29-21(28)19(13)20(27)24-11-18-23-10-15-12-26(2)7-5-16(15)25-18/h8,10,14,22H,3-7,9,11-12H2,1-2H3,(H,24,27).

What are the key properties of 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?

4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 171911433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).