6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide

C27H37FN4O2 — CID 67374134

About 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide

6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide (PubChem CID 67374134) has the molecular formula C27H37FN4O2 and a molecular weight of 468.62 g/mol. Its IUPAC name is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide
• PubChem CID: 67374134
• Molecular Formula: C27H37FN4O2
• Molecular Weight: 468.62 g/mol
• Exact Mass: 468.29
• IUPAC Name: 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide
• SMILES: CCCCc1nnc(C(=O)NCC2CCNC[C@H]2F)cc1-c1ccc(OC2CCCCC2)cc1
• InChI: InChI=1S/C27H37FN4O2/c1-2-3-9-25-23(19-10-12-22(13-11-19)34-21-7-5-4-6-8-21)16-26(32-31-25)27(33)30-17-20-14-15-29-18-24(20)28/h10-13,16,20-21,24,29H,2-9,14-15,17-18H2,1H3,(H,30,33)/t20?,24-/m1/s1
• InChIKey: YAWYWTVNMNMAMO-PIFIWZBESA-N
• XLogP: 4.88
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.62
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide?

The IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide (CID 67374134) is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide?

The canonical SMILES for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide is CCCCc1nnc(C(=O)NCC2CCNC[C@H]2F)cc1-c1ccc(OC2CCCCC2)cc1.

What is the InChIKey of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide?

The InChIKey is YAWYWTVNMNMAMO-PIFIWZBESA-N. The full InChI is InChI=1S/C27H37FN4O2/c1-2-3-9-25-23(19-10-12-22(13-11-19)34-21-7-5-4-6-8-21)16-26(32-31-25)27(33)30-17-20-14-15-29-18-24(20)28/h10-13,16,20-21,24,29H,2-9,14-15,17-18H2,1H3,(H,30,33)/t20?,24-/m1/s1.

What are the key properties of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide?

6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 67374134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).