4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide

C29H28F2N6O — CID 67502230

About 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide

4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide (PubChem CID 67502230) has the molecular formula C29H28F2N6O and a molecular weight of 514.58 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide
• PubChem CID: 67502230
• Molecular Formula: C29H28F2N6O
• Molecular Weight: 514.58 g/mol
• Exact Mass: 514.23
• IUPAC Name: 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide
• SMILES: NC(=O)c1cnc(Nc2ccc(C3CCN(c4ccccn4)CC3)cc2)cc1NCc1cccc(F)c1F
• InChI: InChI=1S/C29H28F2N6O/c30-24-5-3-4-21(28(24)31)17-34-25-16-26(35-18-23(25)29(32)38)36-22-9-7-19(8-10-22)20-11-14-37(15-12-20)27-6-1-2-13-33-27/h1-10,13,16,18,20H,11-12,14-15,17H2,(H2,32,38)(H2,34,35,36)
• InChIKey: AMXZSEVJDUVEDJ-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 96.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.58
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide?

The IUPAC name of 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide (CID 67502230) is 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide.

What is the SMILES notation for 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide?

The canonical SMILES for 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(C3CCN(c4ccccn4)CC3)cc2)cc1NCc1cccc(F)c1F.

What is the InChIKey of 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide?

The InChIKey is AMXZSEVJDUVEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N6O/c30-24-5-3-4-21(28(24)31)17-34-25-16-26(35-18-23(25)29(32)38)36-22-9-7-19(8-10-22)20-11-14-37(15-12-20)27-6-1-2-13-33-27/h1-10,13,16,18,20H,11-12,14-15,17H2,(H2,32,38)(H2,34,35,36).

What are the key properties of 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide?

4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 5.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67502230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).