N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C30H32N6O3 — CID 67114587

About N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 67114587) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
• PubChem CID: 67114587
• Molecular Formula: C30H32N6O3
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.25
• IUPAC Name: N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
• SMILES: Cc1n[nH]c(C)c1C(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1
• InChI: InChI=1S/C30H32N6O3/c1-19-28(20(2)35-34-19)30(39)33-25-11-7-23(8-12-25)31-22-5-9-24(10-6-22)32-29(38)21-3-13-26(14-4-21)36-17-15-27(37)16-18-36/h3-14,27,31,37H,15-18H2,1-2H3,(H,32,38)(H,33,39)(H,34,35)
• InChIKey: GARMOSHSPUAFMZ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 122.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?

The IUPAC name of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 67114587) is N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

What is the SMILES notation for N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?

The canonical SMILES for N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?

The InChIKey is GARMOSHSPUAFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-19-28(20(2)35-34-19)30(39)33-25-11-7-23(8-12-25)31-22-5-9-24(10-6-22)32-29(38)21-3-13-26(14-4-21)36-17-15-27(37)16-18-36/h3-14,27,31,37H,15-18H2,1-2H3,(H,32,38)(H,33,39)(H,34,35).

What are the key properties of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?

N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 524.63 g/mol, XLogP of 5.24, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 67114587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).