N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide

C22H25N3O4S — CID 73426361

IUPACN-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide
SMILESCC1(C)C(=O)N(CCCS(=O)(=O)C2CC2)c2cc(NC(=O)c3ccncc3)ccc21
InChIInChI=1S/C22H25N3O4S/c1-22(2)18-7-4-16(24-20(26)15-8-10-23-11-9-15)14-19(18)25(21(22)27)12-3-13-30(28,29)17-5-6-17/h4,7-11,14,17H,3,5-6,12-13H2,1-2H3,(H,24,26)
InChIKeyQAZXJCWVWPCWRY-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.93
Rot. Bonds7

About N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide

N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide (PubChem CID 73426361) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide
PubChem CID73426361
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide
SMILESCC1(C)C(=O)N(CCCS(=O)(=O)C2CC2)c2cc(NC(=O)c3ccncc3)ccc21
InChIInChI=1S/C22H25N3O4S/c1-22(2)18-7-4-16(24-20(26)15-8-10-23-11-9-15)14-19(18)25(21(22)27)12-3-13-30(28,29)17-5-6-17/h4,7-11,14,17H,3,5-6,12-13H2,1-2H3,(H,24,26)
InChIKeyQAZXJCWVWPCWRY-UHFFFAOYSA-N
XLogP2.93
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide (CID 73426361) is N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide is CC1(C)C(=O)N(CCCS(=O)(=O)C2CC2)c2cc(NC(=O)c3ccncc3)ccc21.
What is the InChIKey of N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide?
The InChIKey is QAZXJCWVWPCWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-22(2)18-7-4-16(24-20(26)15-8-10-23-11-9-15)14-19(18)25(21(22)27)12-3-13-30(28,29)17-5-6-17/h4,7-11,14,17H,3,5-6,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide?
N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide is sourced from PubChem (CID 73426361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).