5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide

C94H101F4N23O13S3 — CID 158737440

IUPAC5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(C(=O)N(C)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCC(C)(C)CC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)S(=O)(=O)NCCO3)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)ccn1.Cc1nccc(Nc2cc(-c3cnc(C)c(CC(=O)N4CC(F)(F)C4)c3)ccn2)n1
InChIInChI=1S/C21H20F2N6O.C21H18F2N4O2.C21H28N4O3S.C17H21N5O3S.C14H14N4O4S/c1-13-16(9-20(30)29-11-21(22,23)12-29)7-17(10-26-13)15-3-5-25-19(8-15)28-18-4-6-24-14(2)27-18;1-12-17(21(29)27(3)19-5-4-16(22)10-18(19)23)8-15(11-25-12)14-6-7-24-20(9-14)26-13(2)28;1-15-19(14-29(27,28)25-9-6-21(3,4)7-10-25)11-18(13-23-15)17-5-8-22-20(12-17)24-16(2)26;1-13(23)20-17-10-14(3-4-19-17)15-9-16(12-18-11-15)26(24,25)22-7-5-21(2)6-8-22;1-9(19)18-13-7-10(2-3-15-13)11-6-12-14(16-8-11)22-5-4-17-23(12,20)21/h3-8,10H,9,11-12H2,1-2H3,(H,24,25,27,28);4-11H,1-3H3,(H,24,26,28);5,8,11-13H,6-7,9-10,14H2,1-4H3,(H,22,24,26);3-4,9-12H,5-8H2,1-2H3,(H,19,20,23);2-3,6-8,17H,4-5H2,1H3,(H,15,18,19)
InChIKeyILVWUAUQFQWVAB-UHFFFAOYSA-N
MW1933.18 g/mol
LogP12.45
Rot. Bonds20

About 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide

5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 158737440) has the molecular formula C94H101F4N23O13S3 and a molecular weight of 1933.18 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID158737440
Molecular FormulaC94H101F4N23O13S3
Molecular Weight1933.18 g/mol
Exact Mass1931.70
IUPAC Name5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(C(=O)N(C)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCC(C)(C)CC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)S(=O)(=O)NCCO3)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)ccn1.Cc1nccc(Nc2cc(-c3cnc(C)c(CC(=O)N4CC(F)(F)C4)c3)ccn2)n1
InChIInChI=1S/C21H20F2N6O.C21H18F2N4O2.C21H28N4O3S.C17H21N5O3S.C14H14N4O4S/c1-13-16(9-20(30)29-11-21(22,23)12-29)7-17(10-26-13)15-3-5-25-19(8-15)28-18-4-6-24-14(2)27-18;1-12-17(21(29)27(3)19-5-4-16(22)10-18(19)23)8-15(11-25-12)14-6-7-24-20(9-14)26-13(2)28;1-15-19(14-29(27,28)25-9-6-21(3,4)7-10-25)11-18(13-23-15)17-5-8-22-20(12-17)24-16(2)26;1-13(23)20-17-10-14(3-4-19-17)15-9-16(12-18-11-15)26(24,25)22-7-5-21(2)6-8-22;1-9(19)18-13-7-10(2-3-15-13)11-6-12-14(16-8-11)22-5-4-17-23(12,20)21/h3-8,10H,9,11-12H2,1-2H3,(H,24,25,27,28);4-11H,1-3H3,(H,24,26,28);5,8,11-13H,6-7,9-10,14H2,1-4H3,(H,22,24,26);3-4,9-12H,5-8H2,1-2H3,(H,19,20,23);2-3,6-8,17H,4-5H2,1H3,(H,15,18,19)
InChIKeyILVWUAUQFQWVAB-UHFFFAOYSA-N
XLogP12.45
TPSA457.13 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.18
LogP ≤ 512.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 158737440) is 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(C(=O)N(C)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCC(C)(C)CC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)S(=O)(=O)NCCO3)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CCN(C)CC3)c2)ccn1.Cc1nccc(Nc2cc(-c3cnc(C)c(CC(=O)N4CC(F)(F)C4)c3)ccn2)n1.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is ILVWUAUQFQWVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O.C21H18F2N4O2.C21H28N4O3S.C17H21N5O3S.C14H14N4O4S/c1-13-16(9-20(30)29-11-21(22,23)12-29)7-17(10-26-13)15-3-5-25-19(8-15)28-18-4-6-24-14(2)27-18;1-12-17(21(29)27(3)19-5-4-16(22)10-18(19)23)8-15(11-25-12)14-6-7-24-20(9-14)26-13(2)28;1-15-19(14-29(27,28)25-9-6-21(3,4)7-10-25)11-18(13-23-15)17-5-8-22-20(12-17)24-16(2)26;1-13(23)20-17-10-14(3-4-19-17)15-9-16(12-18-11-15)26(24,25)22-7-5-21(2)6-8-22;1-9(19)18-13-7-10(2-3-15-13)11-6-12-14(16-8-11)22-5-4-17-23(12,20)21/h3-8,10H,9,11-12H2,1-2H3,(H,24,25,27,28);4-11H,1-3H3,(H,24,26,28);5,8,11-13H,6-7,9-10,14H2,1-4H3,(H,22,24,26);3-4,9-12H,5-8H2,1-2H3,(H,19,20,23);2-3,6-8,17H,4-5H2,1H3,(H,15,18,19).
What are the key properties of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide?
5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 1933.18 g/mol, XLogP of 12.45, 20 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-N,2-dimethylpyridine-3-carboxamide;1-(3,3-difluoroazetidin-1-yl)-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]ethanone;N-[4-[5-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1,1-dioxo-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-8-yl)-2-pyridinyl]acetamide;N-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158737440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).