N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C21H27N5O3 — CID 92581178

About N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 92581178) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
• PubChem CID: 92581178
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
• SMILES: CC(C)c1ccc(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)c(=O)[nH]1
• InChI: InChI=1S/C21H27N5O3/c1-13(2)17-4-3-16(20(28)24-17)19(27)23-15-5-8-26(9-6-15)21-22-11-14-12-29-10-7-18(14)25-21/h3-4,11,13,15H,5-10,12H2,1-2H3,(H,23,27)(H,24,28)
• InChIKey: VFYLPVLEGIILTA-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?

The IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 92581178) is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)NC2CCN(c3ncc4c(n3)CCOC4)CC2)c(=O)[nH]1.

What is the InChIKey of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?

The InChIKey is VFYLPVLEGIILTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-13(2)17-4-3-16(20(28)24-17)19(27)23-15-5-8-26(9-6-15)21-22-11-14-12-29-10-7-18(14)25-21/h3-4,11,13,15H,5-10,12H2,1-2H3,(H,23,27)(H,24,28).

What are the key properties of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?

N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 92581178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).