N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide

C29H30N6O3 — CID 67113163

About N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide

N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide (PubChem CID 67113163) has the molecular formula C29H30N6O3 and a molecular weight of 510.60 g/mol. Its IUPAC name is N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide
• PubChem CID: 67113163
• Molecular Formula: C29H30N6O3
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.24
• IUPAC Name: N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide
• SMILES: Cn1ccc(C(=O)Nc2ccc(Nc3ccc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)cc3)nc2)c1
• InChI: InChI=1S/C29H30N6O3/c1-34-15-12-21(19-34)29(38)33-24-8-11-27(30-18-24)31-22-4-6-23(7-5-22)32-28(37)20-2-9-25(10-3-20)35-16-13-26(36)14-17-35/h2-12,15,18-19,26,36H,13-14,16-17H2,1H3,(H,30,31)(H,32,37)(H,33,38)
• InChIKey: IOYIOZZHWNFTJW-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 111.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide?

The IUPAC name of N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide (CID 67113163) is N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide.

What is the SMILES notation for N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide?

The canonical SMILES for N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(Nc3ccc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)cc3)nc2)c1.

What is the InChIKey of N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide?

The InChIKey is IOYIOZZHWNFTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O3/c1-34-15-12-21(19-34)29(38)33-24-8-11-27(30-18-24)31-22-4-6-23(7-5-22)32-28(37)20-2-9-25(10-3-20)35-16-13-26(36)14-17-35/h2-12,15,18-19,26,36H,13-14,16-17H2,1H3,(H,30,31)(H,32,37)(H,33,38).

What are the key properties of N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide?

N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 510.60 g/mol, XLogP of 4.63, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 67113163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).