N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide

C22H21F2N5O3S — CID 118249302

IUPACN-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCc1ncc(-c2ccnc(NC(=O)N3CCCC3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H21F2N5O3S/c1-14-19(28-33(31,32)20-5-4-17(23)12-18(20)24)10-16(13-26-14)15-6-7-25-21(11-15)27-22(30)29-8-2-3-9-29/h4-7,10-13,28H,2-3,8-9H2,1H3,(H,25,27,30)
InChIKeyBHOFRTRGJARVDS-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.16
Rot. Bonds5

About N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide

N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 118249302) has the molecular formula C22H21F2N5O3S and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID118249302
Molecular FormulaC22H21F2N5O3S
Molecular Weight473.51 g/mol
Exact Mass473.13
IUPAC NameN-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCc1ncc(-c2ccnc(NC(=O)N3CCCC3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H21F2N5O3S/c1-14-19(28-33(31,32)20-5-4-17(23)12-18(20)24)10-16(13-26-14)15-6-7-25-21(11-15)27-22(30)29-8-2-3-9-29/h4-7,10-13,28H,2-3,8-9H2,1H3,(H,25,27,30)
InChIKeyBHOFRTRGJARVDS-UHFFFAOYSA-N
XLogP4.16
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
1-Methanesulfonyl-N-(5-phenyl-2-pyrazinyl)spiro[indoline-3,4'-piperidine]-1'-carboxamide
CID 12108781
1-(methylsulfonyl)-N-(5-phenylpyridin-2-yl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 18004955
N-[4-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}sulfonyl)phenyl]acetamide
CID 2740568
3-Amino-N-pyridin-3-yl-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide
CID 10113102
1-(2,5-Difluoro-benzenesulfonyl)-7-[6-(4-methylpiperazin-1-yl)-pyridin-3-yl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazine
CID 46906670
N-(5-(3-Cyanoimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937064
N-[4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953864
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953865
US9156811, Ddd87763
CID 58561340
4-[5-amino-6-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-yl]-N-methyl-benzenesulfonamide
CID 71711988
4'-(5-Aminopyrazin-2-yl)-3'-fluoro-[1,1'-biphenyl]-2-sulfonamide
CID 77050680

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide (CID 118249302) is N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide is Cc1ncc(-c2ccnc(NC(=O)N3CCCC3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is BHOFRTRGJARVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3S/c1-14-19(28-33(31,32)20-5-4-17(23)12-18(20)24)10-16(13-26-14)15-6-7-25-21(11-15)27-22(30)29-8-2-3-9-29/h4-7,10-13,28H,2-3,8-9H2,1H3,(H,25,27,30).
What are the key properties of N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide?
N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 118249302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).