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

C24H30N6O2 — CID 167844988

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

5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 167844988) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
• PubChem CID: 167844988
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
• SMILES: CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC(C)C)nc4)CC3)=CC2=NC1=O
• InChI: InChI=1S/C24H30N6O2/c1-4-18-12-21-22(28-23(18)31)11-17(13-25-21)15-29-7-9-30(10-8-29)19-5-6-20(26-14-19)24(32)27-16(2)3/h5-6,11-14,16,21H,4,7-10,15H2,1-3H3,(H,27,32)
• InChIKey: VCJXBQAOLVPXJT-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 90.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-propan-2-ylpyridine-2-carboxamide?

The IUPAC name of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (CID 167844988) is 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-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-propan-2-ylpyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide is CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC(C)C)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-propan-2-ylpyridine-2-carboxamide?

The InChIKey is VCJXBQAOLVPXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-4-18-12-21-22(28-23(18)31)11-17(13-25-21)15-29-7-9-30(10-8-29)19-5-6-20(26-14-19)24(32)27-16(2)3/h5-6,11-14,16,21H,4,7-10,15H2,1-3H3,(H,27,32).

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

5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 167844988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).