5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide

C28H33N5O3 — CID 143433555

About 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide

5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide (PubChem CID 143433555) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 143433555
• Molecular Formula: C28H33N5O3
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.26
• IUPAC Name: 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide
• SMILES: CC(=O)c1cn(-c2ccc(-c3ccc(C(N)=O)nc3)cc2)nc1N(C(=O)C1CCC(C)CC1)C(C)C
• InChI: InChI=1S/C28H33N5O3/c1-17(2)33(28(36)21-7-5-18(3)6-8-21)27-24(19(4)34)16-32(31-27)23-12-9-20(10-13-23)22-11-14-25(26(29)35)30-15-22/h9-18,21H,5-8H2,1-4H3,(H2,29,35)
• InChIKey: ZOWYWDXOEKOQEB-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 111.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide (CID 143433555) is 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide is CC(=O)c1cn(-c2ccc(-c3ccc(C(N)=O)nc3)cc2)nc1N(C(=O)C1CCC(C)CC1)C(C)C.

What is the InChIKey of 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is ZOWYWDXOEKOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-17(2)33(28(36)21-7-5-18(3)6-8-21)27-24(19(4)34)16-32(31-27)23-12-9-20(10-13-23)22-11-14-25(26(29)35)30-15-22/h9-18,21H,5-8H2,1-4H3,(H2,29,35).

What are the key properties of 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide?

5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-acetyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazol-1-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 143433555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).