N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide

C18H27N7O — CID 128981659

About N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide

N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide (PubChem CID 128981659) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide
• PubChem CID: 128981659
• Molecular Formula: C18H27N7O
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.23
• IUPAC Name: N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1ccc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)nn1
• InChI: InChI=1S/C18H27N7O/c1-19-18(26)14-7-8-16(22-21-14)24(3)12-13-6-5-11-23(2)17(13)15-9-10-20-25(15)4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,19,26)/t13-,17+/m0/s1
• InChIKey: MRSGHJBXIWMFBU-SUMWQHHRSA-N
• XLogP: 1.09
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide?

The IUPAC name of N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide (CID 128981659) is N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide.

What is the SMILES notation for N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide?

The canonical SMILES for N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide is CNC(=O)c1ccc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)nn1.

What is the InChIKey of N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide?

The InChIKey is MRSGHJBXIWMFBU-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H27N7O/c1-19-18(26)14-7-8-16(22-21-14)24(3)12-13-6-5-11-23(2)17(13)15-9-10-20-25(15)4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,19,26)/t13-,17+/m0/s1.

What are the key properties of N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide?

N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 128981659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).