N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide

C89H80ClF4N19O13S3 — CID 159267168

IUPACN-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(Cc3nc4ccccc4o3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(S(N)(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(CS(=O)(=O)c3ccc(F)cc3F)c2Cl)ccn1.CC(=O)Nc1cc(-c2cncc(N(C)C(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)NC3CCC3)c2)ccn1
InChIInChI=1S/C21H18N4O2.C20H16F2N4O2.C19H14ClF2N3O3S.C16H18N4O3S.C13H14N4O3S/c1-13-16(11-21-25-18-5-3-4-6-19(18)27-21)9-17(12-23-13)15-7-8-22-20(10-15)24-14(2)26;1-12(27)25-19-8-13(5-6-24-19)14-7-16(11-23-10-14)26(2)20(28)17-4-3-15(21)9-18(17)22;1-11(26)25-18-6-12(4-5-24-18)15-9-23-8-13(19(15)20)10-29(27,28)17-3-2-14(21)7-16(17)22;1-11(21)19-16-8-12(5-6-18-16)13-7-15(10-17-9-13)24(22,23)20-14-3-2-4-14;1-8-12(21(14,19)20)5-11(7-16-8)10-3-4-15-13(6-10)17-9(2)18/h3-10,12H,11H2,1-2H3,(H,22,24,26);3-11H,1-2H3,(H,24,25,27);2-9H,10H2,1H3,(H,24,25,26);5-10,14,20H,2-4H2,1H3,(H,18,19,21);3-7H,1-2H3,(H2,14,19,20)(H,15,17,18)
InChIKeyKXGFZPQVUXHOIY-UHFFFAOYSA-N
MW1831.38 g/mol
LogP14.80
Rot. Bonds21

About N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide

N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 159267168) has the molecular formula C89H80ClF4N19O13S3 and a molecular weight of 1831.38 g/mol. Its IUPAC name is N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide
PubChem CID159267168
Molecular FormulaC89H80ClF4N19O13S3
Molecular Weight1831.38 g/mol
Exact Mass1829.50
IUPAC NameN-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(Cc3nc4ccccc4o3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(S(N)(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(CS(=O)(=O)c3ccc(F)cc3F)c2Cl)ccn1.CC(=O)Nc1cc(-c2cncc(N(C)C(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)NC3CCC3)c2)ccn1
InChIInChI=1S/C21H18N4O2.C20H16F2N4O2.C19H14ClF2N3O3S.C16H18N4O3S.C13H14N4O3S/c1-13-16(11-21-25-18-5-3-4-6-19(18)27-21)9-17(12-23-13)15-7-8-22-20(10-15)24-14(2)26;1-12(27)25-19-8-13(5-6-24-19)14-7-16(11-23-10-14)26(2)20(28)17-4-3-15(21)9-18(17)22;1-11(26)25-18-6-12(4-5-24-18)15-9-23-8-13(19(15)20)10-29(27,28)17-3-2-14(21)7-16(17)22;1-11(21)19-16-8-12(5-6-18-16)13-7-15(10-17-9-13)24(22,23)20-14-3-2-4-14;1-8-12(21(14,19)20)5-11(7-16-8)10-3-4-15-13(6-10)17-9(2)18/h3-10,12H,11H2,1-2H3,(H,22,24,26);3-11H,1-2H3,(H,24,25,27);2-9H,10H2,1H3,(H,24,25,26);5-10,14,20H,2-4H2,1H3,(H,18,19,21);3-7H,1-2H3,(H2,14,19,20)(H,15,17,18)
InChIKeyKXGFZPQVUXHOIY-UHFFFAOYSA-N
XLogP14.80
TPSA461.21 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001831.38
LogP ≤ 514.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

6-(4-Benzylsulfonylpiperidin-1-yl)pyridin-3-amine;2-[6-(4-benzylsulfonylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;2-chloro-5-nitropyridine
CID 158011344
2-Chloro-5-nitropyridine;6-[4-(2-phenylethylsulfonyl)piperidin-1-yl]pyridin-3-amine;2-[6-[4-(2-phenylethylsulfonyl)piperidin-1-yl]-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
CID 161215044
N-(1-bicyclo[1.1.1]pentanyl)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;6-[[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]-2-methylpyridine-3-carbonitrile;2-chloro-3-(dimethylsulfamoylamino)-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;2,4-difluoro-N-[2-methyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazol-2-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-7-methyl-1,8-naphthyridin-2-amine
CID 161537141

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide (CID 159267168) is N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(Cc3nc4ccccc4o3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(S(N)(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(CS(=O)(=O)c3ccc(F)cc3F)c2Cl)ccn1.CC(=O)Nc1cc(-c2cncc(N(C)C(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)NC3CCC3)c2)ccn1.
What is the InChIKey of N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is KXGFZPQVUXHOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2.C20H16F2N4O2.C19H14ClF2N3O3S.C16H18N4O3S.C13H14N4O3S/c1-13-16(11-21-25-18-5-3-4-6-19(18)27-21)9-17(12-23-13)15-7-8-22-20(10-15)24-14(2)26;1-12(27)25-19-8-13(5-6-24-19)14-7-16(11-23-10-14)26(2)20(28)17-4-3-15(21)9-18(17)22;1-11(26)25-18-6-12(4-5-24-18)15-9-23-8-13(19(15)20)10-29(27,28)17-3-2-14(21)7-16(17)22;1-11(21)19-16-8-12(5-6-18-16)13-7-15(10-17-9-13)24(22,23)20-14-3-2-4-14;1-8-12(21(14,19)20)5-11(7-16-8)10-3-4-15-13(6-10)17-9(2)18/h3-10,12H,11H2,1-2H3,(H,22,24,26);3-11H,1-2H3,(H,24,25,27);2-9H,10H2,1H3,(H,24,25,26);5-10,14,20H,2-4H2,1H3,(H,18,19,21);3-7H,1-2H3,(H2,14,19,20)(H,15,17,18).
What are the key properties of N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide?
N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 1831.38 g/mol, XLogP of 14.80, 21 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;N-[4-[5-(1,3-benzoxazol-2-ylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[4-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclobutylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-methyl-5-sulfamoyl-3-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 159267168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).