5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate

C89H100ClF2N23O15S4 — CID 158935495

IUPAC5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(-c2cnc(N(C)C)c(C(=O)N(C)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)C(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3Cl)c2)ccn1.CNc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)N(C(C)C)C(C)C.COC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C)C)c2)ccn1
InChIInChI=1S/C22H21F2N5O2.C19H17ClN4O3S.C19H27N5O3S.C15H18N4O3S.C14H17N5O4S/c1-13(30)27-20-10-14(7-8-25-20)15-9-17(21(26-12-15)28(2)3)22(31)29(4)19-6-5-16(23)11-18(19)24;1-12(25)24-18-9-13(6-7-22-18)15-8-17(19(21)23-10-15)28(26,27)11-14-4-2-3-5-16(14)20;1-12(2)24(13(3)4)28(26,27)17-9-16(11-22-19(17)20-6)15-7-8-21-18(10-15)23-14(5)25;1-9(2)23(21,22)13-6-12(8-18-15(13)16)11-4-5-17-14(7-11)19-10(3)20;1-19(2)24(21,22)11-6-10(8-17-13(11)15)9-4-5-16-12(7-9)18-14(20)23-3/h5-12H,1-4H3,(H,25,27,30);2-10H,11H2,1H3,(H2,21,23)(H,22,24,25);7-13H,1-6H3,(H,20,22)(H,21,23,25);4-9H,1-3H3,(H2,16,18)(H,17,19,20);4-8H,1-3H3,(H2,15,17)(H,16,18,20)
InChIKeyJJPBFMKJLPKFKD-UHFFFAOYSA-N
MW1933.64 g/mol
LogP13.01
Rot. Bonds25

About 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate

5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate (PubChem CID 158935495) has the molecular formula C89H100ClF2N23O15S4 and a molecular weight of 1933.64 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate
PubChem CID158935495
Molecular FormulaC89H100ClF2N23O15S4
Molecular Weight1933.64 g/mol
Exact Mass1931.63
IUPAC Name5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(-c2cnc(N(C)C)c(C(=O)N(C)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)C(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3Cl)c2)ccn1.CNc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)N(C(C)C)C(C)C.COC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C)C)c2)ccn1
InChIInChI=1S/C22H21F2N5O2.C19H17ClN4O3S.C19H27N5O3S.C15H18N4O3S.C14H17N5O4S/c1-13(30)27-20-10-14(7-8-25-20)15-9-17(21(26-12-15)28(2)3)22(31)29(4)19-6-5-16(23)11-18(19)24;1-12(25)24-18-9-13(6-7-22-18)15-8-17(19(21)23-10-15)28(26,27)11-14-4-2-3-5-16(14)20;1-12(2)24(13(3)4)28(26,27)17-9-16(11-22-19(17)20-6)15-7-8-21-18(10-15)23-14(5)25;1-9(2)23(21,22)13-6-12(8-18-15(13)16)11-4-5-17-14(7-11)19-10(3)20;1-19(2)24(21,22)11-6-10(8-17-13(11)15)9-4-5-16-12(7-9)18-14(20)23-3/h5-12H,1-4H3,(H,25,27,30);2-10H,11H2,1H3,(H2,21,23)(H,22,24,25);7-13H,1-6H3,(H,20,22)(H,21,23,25);4-9H,1-3H3,(H2,16,18)(H,17,19,20);4-8H,1-3H3,(H2,15,17)(H,16,18,20)
InChIKeyJJPBFMKJLPKFKD-UHFFFAOYSA-N
XLogP13.01
TPSA540.31 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.64
LogP ≤ 513.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate (CID 158935495) is 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate is CC(=O)Nc1cc(-c2cnc(N(C)C)c(C(=O)N(C)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)C(C)C)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3ccccc3Cl)c2)ccn1.CNc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)N(C(C)C)C(C)C.COC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N(C)C)c2)ccn1.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate?
The InChIKey is JJPBFMKJLPKFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2.C19H17ClN4O3S.C19H27N5O3S.C15H18N4O3S.C14H17N5O4S/c1-13(30)27-20-10-14(7-8-25-20)15-9-17(21(26-12-15)28(2)3)22(31)29(4)19-6-5-16(23)11-18(19)24;1-12(25)24-18-9-13(6-7-22-18)15-8-17(19(21)23-10-15)28(26,27)11-14-4-2-3-5-16(14)20;1-12(2)24(13(3)4)28(26,27)17-9-16(11-22-19(17)20-6)15-7-8-21-18(10-15)23-14(5)25;1-9(2)23(21,22)13-6-12(8-18-15(13)16)11-4-5-17-14(7-11)19-10(3)20;1-19(2)24(21,22)11-6-10(8-17-13(11)15)9-4-5-16-12(7-9)18-14(20)23-3/h5-12H,1-4H3,(H,25,27,30);2-10H,11H2,1H3,(H2,21,23)(H,22,24,25);7-13H,1-6H3,(H,20,22)(H,21,23,25);4-9H,1-3H3,(H2,16,18)(H,17,19,20);4-8H,1-3H3,(H2,15,17)(H,16,18,20).
What are the key properties of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate?
5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate has a molecular weight of 1933.64 g/mol, XLogP of 13.01, 25 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-(dimethylamino)-N-methylpyridine-3-carboxamide;N-[4-[6-amino-5-[(2-chlorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-[di(propan-2-yl)sulfamoyl]-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[6-amino-5-(dimethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 158935495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).