5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide

C26H32N6O3 — CID 167844996

About 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide

5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide (PubChem CID 167844996) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide
• PubChem CID: 167844996
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide
• SMILES: CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)N[C@@H]5CCCOC5)nc4)CC3)=CC2=NC1=O
• InChI: InChI=1S/C26H32N6O3/c1-2-19-13-23-24(30-25(19)33)12-18(14-27-23)16-31-7-9-32(10-8-31)21-5-6-22(28-15-21)26(34)29-20-4-3-11-35-17-20/h5-6,12-15,20,23H,2-4,7-11,16-17H2,1H3,(H,29,34)/t20-,23?/m1/s1
• InChIKey: IOVDADXCSGXWBO-PPUHSXQSSA-N
• XLogP: 1.81
• TPSA: 99.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide (CID 167844996) is 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide is CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)N[C@@H]5CCCOC5)nc4)CC3)=CC2=NC1=O.

What is the InChIKey of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide?

The InChIKey is IOVDADXCSGXWBO-PPUHSXQSSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-2-19-13-23-24(30-25(19)33)12-18(14-27-23)16-31-7-9-32(10-8-31)21-5-6-22(28-15-21)26(34)29-20-4-3-11-35-17-20/h5-6,12-15,20,23H,2-4,7-11,16-17H2,1H3,(H,29,34)/t20-,23?/m1/s1.

What are the key properties of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide?

5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167844996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).