N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine

C95H95F4N23O13S3 — CID 159488368

IUPACN-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
SMILESCC(=O)Nc1cc(-c2cnc(C)c(N3CCCNS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CC(F)(F)C3)c2)ccn1.CCOC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.Cc1ccc(Oc2cc(-c3ccnc(Nc4ccnc(C)n4)c3)cnc2C)nc1.Cc1ncc(-c2ccnc(NC(=O)C3CC3)c2)cc1C(=O)N(C)C12CC(C1)C2
InChIInChI=1S/C22H20N6O.C22H24N4O2.C20H18F2N4O4S.C16H19N5O3S.C15H14F2N4O3S/c1-14-4-5-22(26-12-14)29-19-10-18(13-25-15(19)2)17-6-8-24-21(11-17)28-20-7-9-23-16(3)27-20;1-13-18(21(28)26(2)22-9-14(10-22)11-22)7-17(12-24-13)16-5-6-23-19(8-16)25-20(27)15-3-4-15;1-3-30-20(27)25-19-9-13(6-7-23-19)14-8-17(12(2)24-11-14)26-31(28,29)18-5-4-15(21)10-16(18)22;1-11-15(21-7-3-5-19-25(21,23)24)8-14(10-18-11)13-4-6-17-16(9-13)20-12(2)22;1-10(22)20-14-5-11(2-3-19-14)12-4-13(7-18-6-12)25(23,24)21-8-15(16,17)9-21/h4-13H,1-3H3,(H,23,24,27,28);5-8,12,14-15H,3-4,9-11H2,1-2H3,(H,23,25,27);4-11,26H,3H2,1-2H3,(H,23,25,27);4,6,8-10,19H,3,5,7H2,1-2H3,(H,17,20,22);2-7H,8-9H2,1H3,(H,19,20,22)
InChIKeyLXWFRQHHNWILDW-UHFFFAOYSA-N
MW1939.15 g/mol
LogP15.51
Rot. Bonds23

About N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine

N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine (PubChem CID 159488368) has the molecular formula C95H95F4N23O13S3 and a molecular weight of 1939.15 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
PubChem CID159488368
Molecular FormulaC95H95F4N23O13S3
Molecular Weight1939.15 g/mol
Exact Mass1937.66
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
SMILESCC(=O)Nc1cc(-c2cnc(C)c(N3CCCNS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CC(F)(F)C3)c2)ccn1.CCOC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.Cc1ccc(Oc2cc(-c3ccnc(Nc4ccnc(C)n4)c3)cnc2C)nc1.Cc1ncc(-c2ccnc(NC(=O)C3CC3)c2)cc1C(=O)N(C)C12CC(C1)C2
InChIInChI=1S/C22H20N6O.C22H24N4O2.C20H18F2N4O4S.C16H19N5O3S.C15H14F2N4O3S/c1-14-4-5-22(26-12-14)29-19-10-18(13-25-15(19)2)17-6-8-24-21(11-17)28-20-7-9-23-16(3)27-20;1-13-18(21(28)26(2)22-9-14(10-22)11-22)7-17(12-24-13)16-5-6-23-19(8-16)25-20(27)15-3-4-15;1-3-30-20(27)25-19-9-13(6-7-23-19)14-8-17(12(2)24-11-14)26-31(28,29)18-5-4-15(21)10-16(18)22;1-11-15(21-7-3-5-19-25(21,23)24)8-14(10-18-11)13-4-6-17-16(9-13)20-12(2)22;1-10(22)20-14-5-11(2-3-19-14)12-4-13(7-18-6-12)25(23,24)21-8-15(16,17)9-21/h4-13H,1-3H3,(H,23,24,27,28);5-8,12,14-15H,3-4,9-11H2,1-2H3,(H,23,25,27);4-11,26H,3H2,1-2H3,(H,23,25,27);4,6,8-10,19H,3,5,7H2,1-2H3,(H,17,20,22);2-7H,8-9H2,1H3,(H,19,20,22)
InChIKeyLXWFRQHHNWILDW-UHFFFAOYSA-N
XLogP15.51
TPSA467.73 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001939.15
LogP ≤ 515.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine (CID 159488368) is N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine is CC(=O)Nc1cc(-c2cnc(C)c(N3CCCNS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N3CC(F)(F)C3)c2)ccn1.CCOC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.Cc1ccc(Oc2cc(-c3ccnc(Nc4ccnc(C)n4)c3)cnc2C)nc1.Cc1ncc(-c2ccnc(NC(=O)C3CC3)c2)cc1C(=O)N(C)C12CC(C1)C2.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is LXWFRQHHNWILDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O.C22H24N4O2.C20H18F2N4O4S.C16H19N5O3S.C15H14F2N4O3S/c1-14-4-5-22(26-12-14)29-19-10-18(13-25-15(19)2)17-6-8-24-21(11-17)28-20-7-9-23-16(3)27-20;1-13-18(21(28)26(2)22-9-14(10-22)11-22)7-17(12-24-13)16-5-6-23-19(8-16)25-20(27)15-3-4-15;1-3-30-20(27)25-19-9-13(6-7-23-19)14-8-17(12(2)24-11-14)26-31(28,29)18-5-4-15(21)10-16(18)22;1-11-15(21-7-3-5-19-25(21,23)24)8-14(10-18-11)13-4-6-17-16(9-13)20-12(2)22;1-10(22)20-14-5-11(2-3-19-14)12-4-13(7-18-6-12)25(23,24)21-8-15(16,17)9-21/h4-13H,1-3H3,(H,23,24,27,28);5-8,12,14-15H,3-4,9-11H2,1-2H3,(H,23,25,27);4-11,26H,3H2,1-2H3,(H,23,25,27);4,6,8-10,19H,3,5,7H2,1-2H3,(H,17,20,22);2-7H,8-9H2,1H3,(H,19,20,22).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 1939.15 g/mol, XLogP of 15.51, 23 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-N,2-dimethylpyridine-3-carboxamide;N-[4-[5-(3,3-difluoroazetidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 159488368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).