5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide

C92H98F2N22O15S4 — CID 160730044

IUPAC5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N(C)C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCOCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)c4ccccc4)c3c2)ccn1.CCN(CC)C(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1N.CCN(c1cc(-c2ccnc(NC(C)=O)c2)cnc1C)S(=O)(=O)C1CC1
InChIInChI=1S/C21H20F2N4O3S.C20H16N4O3S.C18H22N4O3S.C17H21N5O2.C16H19N5O4S/c1-13(28)26-20-9-14(6-7-24-20)15-8-16(21(25-11-15)27(2)3)12-31(29,30)19-5-4-17(22)10-18(19)23;1-14(25)23-20-12-15(7-9-21-20)16-11-19-18(22-13-16)8-10-24(19)28(26,27)17-5-3-2-4-6-17;1-4-22(26(24,25)16-5-6-16)17-9-15(11-20-12(17)2)14-7-8-19-18(10-14)21-13(3)23;1-4-22(5-2)17(24)14-8-13(10-20-16(14)18)12-6-7-19-15(9-12)21-11(3)23;1-11(22)20-15-9-12(2-3-18-15)13-8-14(16(17)19-10-13)26(23,24)21-4-6-25-7-5-21/h4-11H,12H2,1-3H3,(H,24,26,28);2-13H,1H3,(H,21,23,25);7-11,16H,4-6H2,1-3H3,(H,19,21,23);6-10H,4-5H2,1-3H3,(H2,18,20)(H,19,21,23);2-3,8-10H,4-7H2,1H3,(H2,17,19)(H,18,20,22)
InChIKeyRUFGJRSUFCTAPE-UHFFFAOYSA-N
MW1918.20 g/mol
LogP12.31
Rot. Bonds25

About 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide

5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 160730044) has the molecular formula C92H98F2N22O15S4 and a molecular weight of 1918.20 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID160730044
Molecular FormulaC92H98F2N22O15S4
Molecular Weight1918.20 g/mol
Exact Mass1916.64
IUPAC Name5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N(C)C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCOCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)c4ccccc4)c3c2)ccn1.CCN(CC)C(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1N.CCN(c1cc(-c2ccnc(NC(C)=O)c2)cnc1C)S(=O)(=O)C1CC1
InChIInChI=1S/C21H20F2N4O3S.C20H16N4O3S.C18H22N4O3S.C17H21N5O2.C16H19N5O4S/c1-13(28)26-20-9-14(6-7-24-20)15-8-16(21(25-11-15)27(2)3)12-31(29,30)19-5-4-17(22)10-18(19)23;1-14(25)23-20-12-15(7-9-21-20)16-11-19-18(22-13-16)8-10-24(19)28(26,27)17-5-3-2-4-6-17;1-4-22(26(24,25)16-5-6-16)17-9-15(11-20-12(17)2)14-7-8-19-18(10-14)21-13(3)23;1-4-22(5-2)17(24)14-8-13(10-20-16(14)18)12-6-7-19-15(9-12)21-11(3)23;1-11(22)20-15-9-12(2-3-18-15)13-8-14(16(17)19-10-13)26(23,24)21-4-6-25-7-5-21/h4-11H,12H2,1-3H3,(H,24,26,28);2-13H,1H3,(H,21,23,25);7-11,16H,4-6H2,1-3H3,(H,19,21,23);6-10H,4-5H2,1-3H3,(H2,18,20)(H,19,21,23);2-3,8-10H,4-7H2,1H3,(H2,17,19)(H,18,20,22)
InChIKeyRUFGJRSUFCTAPE-UHFFFAOYSA-N
XLogP12.31
TPSA507.19 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.20
LogP ≤ 512.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-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)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide (CID 160730044) is 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N(C)C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)N3CCOCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)c4ccccc4)c3c2)ccn1.CCN(CC)C(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1N.CCN(c1cc(-c2ccnc(NC(C)=O)c2)cnc1C)S(=O)(=O)C1CC1.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is RUFGJRSUFCTAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3S.C20H16N4O3S.C18H22N4O3S.C17H21N5O2.C16H19N5O4S/c1-13(28)26-20-9-14(6-7-24-20)15-8-16(21(25-11-15)27(2)3)12-31(29,30)19-5-4-17(22)10-18(19)23;1-14(25)23-20-12-15(7-9-21-20)16-11-19-18(22-13-16)8-10-24(19)28(26,27)17-5-3-2-4-6-17;1-4-22(26(24,25)16-5-6-16)17-9-15(11-20-12(17)2)14-7-8-19-18(10-14)21-13(3)23;1-4-22(5-2)17(24)14-8-13(10-20-16(14)18)12-6-7-19-15(9-12)21-11(3)23;1-11(22)20-15-9-12(2-3-18-15)13-8-14(16(17)19-10-13)26(23,24)21-4-6-25-7-5-21/h4-11H,12H2,1-3H3,(H,24,26,28);2-13H,1H3,(H,21,23,25);7-11,16H,4-6H2,1-3H3,(H,19,21,23);6-10H,4-5H2,1-3H3,(H2,18,20)(H,19,21,23);2-3,8-10H,4-7H2,1H3,(H2,17,19)(H,18,20,22).
What are the key properties of 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 1918.20 g/mol, XLogP of 12.31, 25 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-pyridinyl)-2-amino-N,N-diethylpyridine-3-carboxamide;N-[4-(6-amino-5-morpholin-4-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylsulfonyl(ethyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 160730044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).