N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide

C25H22N6O3 — CID 10182639

About N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide

N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide (PubChem CID 10182639) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide
• PubChem CID: 10182639
• Molecular Formula: C25H22N6O3
• Molecular Weight: 454.49 g/mol
• Exact Mass: 454.18
• IUPAC Name: N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide
• SMILES: O=C(Nc1c(OC(Cn2ccnc2)c2cccnc2)ccc2c1CCCC2=O)c1cnccn1
• InChI: InChI=1S/C25H22N6O3/c32-21-5-1-4-19-18(21)6-7-22(24(19)30-25(33)20-14-27-9-10-29-20)34-23(15-31-12-11-28-16-31)17-3-2-8-26-13-17/h2-3,6-14,16,23H,1,4-5,15H2,(H,30,33)
• InChIKey: CEIRBKKVZUHVJE-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 111.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.49
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide (CID 10182639) is N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide is O=C(Nc1c(OC(Cn2ccnc2)c2cccnc2)ccc2c1CCCC2=O)c1cnccn1.

What is the InChIKey of N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide?

The InChIKey is CEIRBKKVZUHVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c32-21-5-1-4-19-18(21)6-7-22(24(19)30-25(33)20-14-27-9-10-29-20)34-23(15-31-12-11-28-16-31)17-3-2-8-26-13-17/h2-3,6-14,16,23H,1,4-5,15H2,(H,30,33).

What are the key properties of N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide?

N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 10182639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).