5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide

C23H27N3O5S — CID 54575941

IUPAC5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(N(CCCO)S(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C23H27N3O5S/c1-14-5-7-16(8-6-14)20-19(22(28)24-2)18-13-17(15-9-10-15)21(25-23(18)31-20)26(11-4-12-27)32(3,29)30/h5-8,13,15,27H,4,9-12H2,1-3H3,(H,24,28)
InChIKeyRRLURJRCESHLJV-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.19
Rot. Bonds8

About 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide

5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 54575941) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID54575941
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(N(CCCO)S(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C23H27N3O5S/c1-14-5-7-16(8-6-14)20-19(22(28)24-2)18-13-17(15-9-10-15)21(25-23(18)31-20)26(11-4-12-27)32(3,29)30/h5-8,13,15,27H,4,9-12H2,1-3H3,(H,24,28)
InChIKeyRRLURJRCESHLJV-UHFFFAOYSA-N
XLogP3.19
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-bromobutyl(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575876
6-[5-aminopentyl(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575944
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 58052436
ethyl 6-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]-2-methylsulfonylhexanoate
CID 58052450
4-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]butyl-ethoxy-hydroxy-methylphosphanium
CID 123536144
2-[2-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]ethyl]benzoic acid
CID 58052497
5-[[5-cyclopropyl-2-(3-fluoro-4-methylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]pentanoic acid
CID 58052382
6-[[5-cyclopropyl-2-(4-ethylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]-2-(methoxymethyl)hexanoic acid
CID 76679467
5-[[5-cyclopropyl-2-[4-(2-fluorophenoxy)phenyl]-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]pentanoic acid
CID 58052526
N-(3-bromopropyl)-N-[5-cyclopropyl-3-[hydroxy(methylamino)methyl]-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]methanesulfonamide
CID 123163715
bis(phenylmethoxy)phosphoryloxymethyl (2S)-5-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]-2-methylpentanoate;(2S)-5-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]-2-methylpentanoic acid;dibenzyl chloromethyl phosphate
CID 158589224
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66664414

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide (CID 54575941) is 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(N(CCCO)S(C)(=O)=O)c(C3CC3)cc12.
What is the InChIKey of 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is RRLURJRCESHLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-14-5-7-16(8-6-14)20-19(22(28)24-2)18-13-17(15-9-10-15)21(25-23(18)31-20)26(11-4-12-27)32(3,29)30/h5-8,13,15,27H,4,9-12H2,1-3H3,(H,24,28).
What are the key properties of 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 54575941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).