N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide

C22H21FN4O3S — CID 123714762

IUPACN-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(NC(=O)C4CC4)c3)cnc2C)c(F)c1
InChIInChI=1S/C22H21FN4O3S/c1-13-3-6-20(18(23)9-13)31(29,30)27-19-10-17(12-25-14(19)2)16-7-8-24-21(11-16)26-22(28)15-4-5-15/h3,6-12,15,27H,4-5H2,1-2H3,(H,24,26,28)
InChIKeyYTKYPJHOOQSBOA-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.05
Rot. Bonds6

About N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 123714762) has the molecular formula C22H21FN4O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID123714762
Molecular FormulaC22H21FN4O3S
Molecular Weight440.50 g/mol
Exact Mass440.13
IUPAC NameN-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(NC(=O)C4CC4)c3)cnc2C)c(F)c1
InChIInChI=1S/C22H21FN4O3S/c1-13-3-6-20(18(23)9-13)31(29,30)27-19-10-17(12-25-14(19)2)16-7-8-24-21(11-16)26-22(28)15-4-5-15/h3,6-12,15,27H,4-5H2,1-2H3,(H,24,26,28)
InChIKeyYTKYPJHOOQSBOA-UHFFFAOYSA-N
XLogP4.05
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane
CID 158181315
N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249308
2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 118249359
N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293605
N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide
CID 141471203
N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 123524378
N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 163420371
ethyl N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 152859838
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785688

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide (CID 123714762) is N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(NC(=O)C4CC4)c3)cnc2C)c(F)c1.
What is the InChIKey of N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is YTKYPJHOOQSBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3S/c1-13-3-6-20(18(23)9-13)31(29,30)27-19-10-17(12-25-14(19)2)16-7-8-24-21(11-16)26-22(28)15-4-5-15/h3,6-12,15,27H,4-5H2,1-2H3,(H,24,26,28).
What are the key properties of N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 123714762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).