N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C26H32N6O3 — CID 170634573

About N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634573) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 170634573
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCCCC2)cc1NC(=O)c1cnc2[nH]c(C3CCOCC3)cc2c1
• InChI: InChI=1S/C26H32N6O3/c1-17-22(13-21(15-27-17)29-24(33)16-32-7-3-2-4-8-32)31-26(34)20-11-19-12-23(30-25(19)28-14-20)18-5-9-35-10-6-18/h11-15,18H,2-10,16H2,1H3,(H,28,30)(H,29,33)(H,31,34)
• InChIKey: WPJSECRIULQIPW-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634573) is N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ncc(NC(=O)CN2CCCCC2)cc1NC(=O)c1cnc2[nH]c(C3CCOCC3)cc2c1.

What is the InChIKey of N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is WPJSECRIULQIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-17-22(13-21(15-27-17)29-24(33)16-32-7-3-2-4-8-32)31-26(34)20-11-19-12-23(30-25(19)28-14-20)18-5-9-35-10-6-18/h11-15,18H,2-10,16H2,1H3,(H,28,30)(H,29,33)(H,31,34).

What are the key properties of N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).