N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide

C22H25N5O4 — CID 139546813

About N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide

N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (PubChem CID 139546813) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
• PubChem CID: 139546813
• Molecular Formula: C22H25N5O4
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.19
• IUPAC Name: N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)N[C@@H]3CC[C@](C)(O)C3)nn2)cn1
• InChI: InChI=1S/C22H25N5O4/c1-13-4-5-15(11-23-13)20-17(14(2)31-27-20)12-30-19-7-6-18(25-26-19)21(28)24-16-8-9-22(3,29)10-16/h4-7,11,16,29H,8-10,12H2,1-3H3,(H,24,28)/t16-,22+/m1/s1
• InChIKey: XCYBJWRFSZLYDI-ZHRRBRCNSA-N
• XLogP: 2.76
• TPSA: 123.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?

The IUPAC name of N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (CID 139546813) is N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.

What is the SMILES notation for N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?

The canonical SMILES for N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)N[C@@H]3CC[C@](C)(O)C3)nn2)cn1.

What is the InChIKey of N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?

The InChIKey is XCYBJWRFSZLYDI-ZHRRBRCNSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-13-4-5-15(11-23-13)20-17(14(2)31-27-20)12-30-19-7-6-18(25-26-19)21(28)24-16-8-9-22(3,29)10-16/h4-7,11,16,29H,8-10,12H2,1-3H3,(H,24,28)/t16-,22+/m1/s1.

What are the key properties of N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?

N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is sourced from PubChem (CID 139546813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).