N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C23H28N6O4 — CID 166505926

About N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 166505926) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• PubChem CID: 166505926
• Molecular Formula: C23H28N6O4
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.22
• IUPAC Name: N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• SMILES: COc1nccc2[nH]c(C(=O)NC(CC3CC3)C(=O)NC(C#N)CC3CCCNC3=O)cc12
• InChI: InChI=1S/C23H28N6O4/c1-33-23-16-11-19(28-17(16)6-8-26-23)22(32)29-18(9-13-4-5-13)21(31)27-15(12-24)10-14-3-2-7-25-20(14)30/h6,8,11,13-15,18,28H,2-5,7,9-10H2,1H3,(H,25,30)(H,27,31)(H,29,32)
• InChIKey: ROFVKMOSFBHFCS-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 149.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The IUPAC name of N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 166505926) is N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1nccc2[nH]c(C(=O)NC(CC3CC3)C(=O)NC(C#N)CC3CCCNC3=O)cc12.

What is the InChIKey of N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The InChIKey is ROFVKMOSFBHFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-33-23-16-11-19(28-17(16)6-8-26-23)22(32)29-18(9-13-4-5-13)21(31)27-15(12-24)10-14-3-2-7-25-20(14)30/h6,8,11,13-15,18,28H,2-5,7,9-10H2,1H3,(H,25,30)(H,27,31)(H,29,32).

What are the key properties of N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 1.39, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 166505926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).