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

C20H25N5O3S — CID 71616987

IUPAC6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(NC2CCCCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C20H25N5O3S/c1-21-29(27,28)14-10-16(19(23-11-14)24-13-6-4-3-5-7-13)17-12-25(2)20(26)18-15(17)8-9-22-18/h8-13,21-22H,3-7H2,1-2H3,(H,23,24)
InChIKeyUUCXPOSSSHGJBS-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.58
Rot. Bonds5

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

6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide (PubChem CID 71616987) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide
PubChem CID71616987
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(NC2CCCCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C20H25N5O3S/c1-21-29(27,28)14-10-16(19(23-11-14)24-13-6-4-3-5-7-13)17-12-25(2)20(26)18-15(17)8-9-22-18/h8-13,21-22H,3-7H2,1-2H3,(H,23,24)
InChIKeyUUCXPOSSSHGJBS-UHFFFAOYSA-N
XLogP2.58
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide (CID 71616987) is 6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide is CNS(=O)(=O)c1cnc(NC2CCCCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of 6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?
The InChIKey is UUCXPOSSSHGJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-21-29(27,28)14-10-16(19(23-11-14)24-13-6-4-3-5-7-13)17-12-25(2)20(26)18-15(17)8-9-22-18/h8-13,21-22H,3-7H2,1-2H3,(H,23,24).
What are the key properties of 6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?
6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide has a molecular weight of 415.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-methyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 71616987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).