1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide

C109H119N19O12S3 — CID 157304139

IUPAC1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Cc1cc(-c2cnc(CCC3CC3)c(NCC3CC3)c2)ccn1.CC(=O)Cc1cc(-c2cnc3c(c2)CCC3)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3cccc(C(C)(C)C)c3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)CS(=O)(=O)N3CC2CC2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)N=C(C)C3)ccn1.CCS(=O)(=O)c1cc(-c2ccnc(CC(C)=O)c2)cnc1N
InChIInChI=1S/C24H27N3O3S.C22H27N3O.C17H18N4O3S.C16H16N2O.C15H14N4O.C15H17N3O3S/c1-16-20(15-31(29,30)22-8-6-7-21(13-22)24(3,4)5)11-19(14-26-16)18-9-10-25-23(12-18)27-17(2)28;1-15(26)10-20-11-18(8-9-23-20)19-12-22(24-13-17-4-5-17)21(25-14-19)7-6-16-2-3-16;1-11(22)20-16-7-13(4-5-18-16)14-6-15-10-25(23,24)21(9-12-2-3-12)17(15)19-8-14;1-11(19)7-15-9-12(5-6-17-15)14-8-13-3-2-4-16(13)18-10-14;1-9-5-13-14(18-9)6-12(8-17-13)11-3-4-16-15(7-11)19-10(2)20;1-3-22(20,21)14-8-12(9-18-15(14)16)11-4-5-17-13(7-11)6-10(2)19/h6-14H,15H2,1-5H3,(H,25,27,28);8-9,11-12,14,16-17,24H,2-7,10,13H2,1H3;4-8,12H,2-3,9-10H2,1H3,(H,18,20,22);5-6,8-10H,2-4,7H2,1H3;3-4,6-8H,5H2,1-2H3,(H,16,19,20);4-5,7-9H,3,6H2,1-2H3,(H2,16,18)
InChIKeyBCGCGVKYNVOKFI-UHFFFAOYSA-N
MW1983.47 g/mol
LogP18.45
Rot. Bonds28

About 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide

1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide (PubChem CID 157304139) has the molecular formula C109H119N19O12S3 and a molecular weight of 1983.47 g/mol. Its IUPAC name is 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide
PubChem CID157304139
Molecular FormulaC109H119N19O12S3
Molecular Weight1983.47 g/mol
Exact Mass1981.84
IUPAC Name1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Cc1cc(-c2cnc(CCC3CC3)c(NCC3CC3)c2)ccn1.CC(=O)Cc1cc(-c2cnc3c(c2)CCC3)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3cccc(C(C)(C)C)c3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)CS(=O)(=O)N3CC2CC2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)N=C(C)C3)ccn1.CCS(=O)(=O)c1cc(-c2ccnc(CC(C)=O)c2)cnc1N
InChIInChI=1S/C24H27N3O3S.C22H27N3O.C17H18N4O3S.C16H16N2O.C15H14N4O.C15H17N3O3S/c1-16-20(15-31(29,30)22-8-6-7-21(13-22)24(3,4)5)11-19(14-26-16)18-9-10-25-23(12-18)27-17(2)28;1-15(26)10-20-11-18(8-9-23-20)19-12-22(24-13-17-4-5-17)21(25-14-19)7-6-16-2-3-16;1-11(22)20-16-7-13(4-5-18-16)14-6-15-10-25(23,24)21(9-12-2-3-12)17(15)19-8-14;1-11(19)7-15-9-12(5-6-17-15)14-8-13-3-2-4-16(13)18-10-14;1-9-5-13-14(18-9)6-12(8-17-13)11-3-4-16-15(7-11)19-10(2)20;1-3-22(20,21)14-8-12(9-18-15(14)16)11-4-5-17-13(7-11)6-10(2)19/h6-14H,15H2,1-5H3,(H,25,27,28);8-9,11-12,14,16-17,24H,2-7,10,13H2,1H3;4-8,12H,2-3,9-10H2,1H3,(H,18,20,22);5-6,8-10H,2-4,7H2,1H3;3-4,6-8H,5H2,1-2H3,(H,16,19,20);4-5,7-9H,3,6H2,1-2H3,(H2,16,18)
InChIKeyBCGCGVKYNVOKFI-UHFFFAOYSA-N
XLogP18.45
TPSA449.26 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001983.47
LogP ≤ 518.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The IUPAC name of 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide (CID 157304139) is 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide is CC(=O)Cc1cc(-c2cnc(CCC3CC3)c(NCC3CC3)c2)ccn1.CC(=O)Cc1cc(-c2cnc3c(c2)CCC3)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3cccc(C(C)(C)C)c3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)CS(=O)(=O)N3CC2CC2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)N=C(C)C3)ccn1.CCS(=O)(=O)c1cc(-c2ccnc(CC(C)=O)c2)cnc1N.
What is the InChIKey of 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide?
The InChIKey is BCGCGVKYNVOKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S.C22H27N3O.C17H18N4O3S.C16H16N2O.C15H14N4O.C15H17N3O3S/c1-16-20(15-31(29,30)22-8-6-7-21(13-22)24(3,4)5)11-19(14-26-16)18-9-10-25-23(12-18)27-17(2)28;1-15(26)10-20-11-18(8-9-23-20)19-12-22(24-13-17-4-5-17)21(25-14-19)7-6-16-2-3-16;1-11(22)20-16-7-13(4-5-18-16)14-6-15-10-25(23,24)21(9-12-2-3-12)17(15)19-8-14;1-11(19)7-15-9-12(5-6-17-15)14-8-13-3-2-4-16(13)18-10-14;1-9-5-13-14(18-9)6-12(8-17-13)11-3-4-16-15(7-11)19-10(2)20;1-3-22(20,21)14-8-12(9-18-15(14)16)11-4-5-17-13(7-11)6-10(2)19/h6-14H,15H2,1-5H3,(H,25,27,28);8-9,11-12,14,16-17,24H,2-7,10,13H2,1H3;4-8,12H,2-3,9-10H2,1H3,(H,18,20,22);5-6,8-10H,2-4,7H2,1H3;3-4,6-8H,5H2,1-2H3,(H,16,19,20);4-5,7-9H,3,6H2,1-2H3,(H2,16,18).
What are the key properties of 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide?
1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide has a molecular weight of 1983.47 g/mol, XLogP of 18.45, 28 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]propan-2-one;N-[4-[5-[(3-tert-butylphenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[6-(2-cyclopropylethyl)-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]propan-2-one;N-[4-[1-(cyclopropylmethyl)-2,2-dioxo-3H-[1,2]thiazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]acetamide;1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]propan-2-one;N-[4-(2-methyl-3H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 157304139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).