N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C24H27N5O2 — CID 59373977

About N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59373977) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
• PubChem CID: 59373977
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
• SMILES: C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
• InChI: InChI=1S/C24H27N5O2/c1-17-7-5-8-18(2)29(17)28-23(30)21-9-6-16-26-24(21)31-20-13-11-19(12-14-20)27-22-10-3-4-15-25-22/h3-4,6,9-18H,5,7-8H2,1-2H3,(H,25,27)(H,28,30)/t17-,18-/m1/s1
• InChIKey: NXQHNMMSSKQLOJ-QZTJIDSGSA-N
• XLogP: 4.92
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?

The IUPAC name of N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59373977) is N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?

The canonical SMILES for N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.

What is the InChIKey of N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?

The InChIKey is NXQHNMMSSKQLOJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-7-5-8-18(2)29(17)28-23(30)21-9-6-16-26-24(21)31-20-13-11-19(12-14-20)27-22-10-3-4-15-25-22/h3-4,6,9-18H,5,7-8H2,1-2H3,(H,25,27)(H,28,30)/t17-,18-/m1/s1.

What are the key properties of N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?

N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59373977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).