1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide

C18H23N3O2 — CID 31442892

About 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 31442892) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
• PubChem CID: 31442892
• Molecular Formula: C18H23N3O2
• Molecular Weight: 313.40 g/mol
• Exact Mass: 313.18
• IUPAC Name: 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
• SMILES: C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C18H23N3O2/c1-12(14-8-7-13-5-3-4-6-15(13)11-14)19-18(23)16-9-10-17(22)21(2)20-16/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,23)/t12-/m0/s1
• InChIKey: FOPWLUCJODFABV-LBPRGKRZSA-N
• XLogP: 2.35
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.40
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide?

The IUPAC name of 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide (CID 31442892) is 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide.

What is the SMILES notation for 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide?

The canonical SMILES for 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide is C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide?

The InChIKey is FOPWLUCJODFABV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(14-8-7-13-5-3-4-6-15(13)11-14)19-18(23)16-9-10-17(22)21(2)20-16/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,23)/t12-/m0/s1.

What are the key properties of 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide?

1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 31442892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).