6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide

C19H23N5O3S — CID 71616988

About 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide

6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide (PubChem CID 71616988) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide
• PubChem CID: 71616988
• Molecular Formula: C19H23N5O3S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.15
• IUPAC Name: 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide
• SMILES: Cn1cc(-c2cc(S(N)(=O)=O)cnc2NC2CCCCC2)c2cc[nH]c2c1=O
• InChI: InChI=1S/C19H23N5O3S/c1-24-11-16(14-7-8-21-17(14)19(24)25)15-9-13(28(20,26)27)10-22-18(15)23-12-5-3-2-4-6-12/h7-12,21H,2-6H2,1H3,(H,22,23)(H2,20,26,27)
• InChIKey: AYPYRWDKHQSFQZ-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 122.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?

The IUPAC name of 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide (CID 71616988) is 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?

The canonical SMILES for 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide is Cn1cc(-c2cc(S(N)(=O)=O)cnc2NC2CCCCC2)c2cc[nH]c2c1=O.

What is the InChIKey of 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?

The InChIKey is AYPYRWDKHQSFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-24-11-16(14-7-8-21-17(14)19(24)25)15-9-13(28(20,26)27)10-22-18(15)23-12-5-3-2-4-6-12/h7-12,21H,2-6H2,1H3,(H,22,23)(H2,20,26,27).

What are the key properties of 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?

6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 71616988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).