N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide

C92H88F3N19O13S3 — CID 159495163

IUPACN-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)C4CC4)c3c2)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)/C=C/c3ccc(F)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cncc(N(CC3CC3)S(C)(=O)=O)c2)ccn1.CCc1ncc(-c2ccnc(CC(C)=O)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H19F2N3O3S.C21H16FN3O2.C17H16N4O3S.C17H20N4O3S.C16H17N5O2/c1-3-19-20(26-30(28,29)21-5-4-16(22)11-18(21)23)10-15(12-25-19)14-6-7-24-17(9-14)8-13(2)27;1-14(26)25-21-11-16(8-9-24-21)17-10-18(13-23-12-17)20(27)7-4-15-2-5-19(22)6-3-15;1-11(22)20-17-9-12(4-6-18-17)13-8-16-15(19-10-13)5-7-21(16)25(23,24)14-2-3-14;1-12(22)20-17-8-14(5-6-19-17)15-7-16(10-18-9-15)21(25(2,23)24)11-13-3-4-13;1-10(22)20-14-8-11(3-4-18-14)12-7-13(15(17)19-9-12)16(23)21-5-2-6-21/h4-7,9-12,26H,3,8H2,1-2H3;2-13H,1H3,(H,24,25,26);4-10,14H,2-3H2,1H3,(H,18,20,22);5-10,13H,3-4,11H2,1-2H3,(H,19,20,22);3-4,7-9H,2,5-6H2,1H3,(H2,17,19)(H,18,20,22)/b;7-4+;;;
InChIKeyLYROPFLDFWKOLV-VUWAWBNHSA-N
MW1821.03 g/mol
LogP14.26
Rot. Bonds25

About N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 159495163) has the molecular formula C92H88F3N19O13S3 and a molecular weight of 1821.03 g/mol. Its IUPAC name is N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID159495163
Molecular FormulaC92H88F3N19O13S3
Molecular Weight1821.03 g/mol
Exact Mass1819.59
IUPAC NameN-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)C4CC4)c3c2)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)/C=C/c3ccc(F)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cncc(N(CC3CC3)S(C)(=O)=O)c2)ccn1.CCc1ncc(-c2ccnc(CC(C)=O)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H19F2N3O3S.C21H16FN3O2.C17H16N4O3S.C17H20N4O3S.C16H17N5O2/c1-3-19-20(26-30(28,29)21-5-4-16(22)11-18(21)23)10-15(12-25-19)14-6-7-24-17(9-14)8-13(2)27;1-14(26)25-21-11-16(8-9-24-21)17-10-18(13-23-12-17)20(27)7-4-15-2-5-19(22)6-3-15;1-11(22)20-17-9-12(4-6-18-17)13-8-16-15(19-10-13)5-7-21(16)25(23,24)14-2-3-14;1-12(22)20-17-8-14(5-6-19-17)15-7-16(10-18-9-15)21(25(2,23)24)11-13-3-4-13;1-10(22)20-14-8-11(3-4-18-14)12-7-13(15(17)19-9-12)16(23)21-5-2-6-21/h4-7,9-12,26H,3,8H2,1-2H3;2-13H,1H3,(H,24,25,26);4-10,14H,2-3H2,1H3,(H,18,20,22);5-10,13H,3-4,11H2,1-2H3,(H,19,20,22);3-4,7-9H,2,5-6H2,1H3,(H2,17,19)(H,18,20,22)/b;7-4+;;;
InChIKeyLYROPFLDFWKOLV-VUWAWBNHSA-N
XLogP14.26
TPSA448.39 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001821.03
LogP ≤ 514.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 159495163) is N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)C4CC4)c3c2)ccn1.CC(=O)Nc1cc(-c2cncc(C(=O)/C=C/c3ccc(F)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cncc(N(CC3CC3)S(C)(=O)=O)c2)ccn1.CCc1ncc(-c2ccnc(CC(C)=O)c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is LYROPFLDFWKOLV-VUWAWBNHSA-N. The full InChI is InChI=1S/C21H19F2N3O3S.C21H16FN3O2.C17H16N4O3S.C17H20N4O3S.C16H17N5O2/c1-3-19-20(26-30(28,29)21-5-4-16(22)11-18(21)23)10-15(12-25-19)14-6-7-24-17(9-14)8-13(2)27;1-14(26)25-21-11-16(8-9-24-21)17-10-18(13-23-12-17)20(27)7-4-15-2-5-19(22)6-3-15;1-11(22)20-17-9-12(4-6-18-17)13-8-16-15(19-10-13)5-7-21(16)25(23,24)14-2-3-14;1-12(22)20-17-8-14(5-6-19-17)15-7-16(10-18-9-15)21(25(2,23)24)11-13-3-4-13;1-10(22)20-14-8-11(3-4-18-14)12-7-13(15(17)19-9-12)16(23)21-5-2-6-21/h4-7,9-12,26H,3,8H2,1-2H3;2-13H,1H3,(H,24,25,26);4-10,14H,2-3H2,1H3,(H,18,20,22);5-10,13H,3-4,11H2,1-2H3,(H,19,20,22);3-4,7-9H,2,5-6H2,1H3,(H2,17,19)(H,18,20,22)/b;7-4+;;;.
What are the key properties of N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 1821.03 g/mol, XLogP of 14.26, 25 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(azetidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[cyclopropylmethyl(methylsulfonyl)amino]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]acetamide;N-[2-ethyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[4-[5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159495163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).