N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 158955186) has the molecular formula C57H59BBrCl3F2N12O9S2 and a molecular weight of 1355.38 g/mol. Its IUPAC name is N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name	N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
PubChem CID	158955186
Molecular Formula	C57H59BBrCl3F2N12O9S2
Molecular Weight	1355.38 g/mol
Exact Mass	1352.23
IUPAC Name	N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
SMILES	CC(=O)Nc1cc(-c2cnc(C)c(N)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3Cl)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1ncc(Br)cc1N.O=S(=O)(Cl)c1ccc(F)cc1Cl
InChI	InChI=1S/C19H16ClFN4O3S.C13H19BN2O3.C13H14N4O.C6H7BrN2.C6H3Cl2FO2S/c1-11-17(25-29(27,28)18-4-3-15(21)9-16(18)20)7-14(10-23-11)13-5-6-22-19(8-13)24-12(2)26;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-8-12(14)5-11(7-16-8)10-3-4-15-13(6-10)17-9(2)18;1-4-6(8)2-5(7)3-9-4;7-5-3-4(9)1-2-6(5)12(8,10)11/h3-10,25H,1-2H3,(H,22,24,26);6-8H,1-5H3,(H,15,16,17);3-7H,14H2,1-2H3,(H,15,17,18);2-3H,8H2,1H3;1-3H
InChIKey	JLXKNKBKVFAFBU-UHFFFAOYSA-N
XLogP	11.48
TPSA	315.45 Å²
H-Bond Donors	6
H-Bond Acceptors	17
Rotatable Bonds	10
Heavy Atoms	87
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1355.38
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Analyze N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 158955186) is N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(N)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3Cl)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1ncc(Br)cc1N.O=S(=O)(Cl)c1ccc(F)cc1Cl.

What is the InChIKey of N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is JLXKNKBKVFAFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O3S.C13H19BN2O3.C13H14N4O.C6H7BrN2.C6H3Cl2FO2S/c1-11-17(25-29(27,28)18-4-3-15(21)9-16(18)20)7-14(10-23-11)13-5-6-22-19(8-13)24-12(2)26;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-8-12(14)5-11(7-16-8)10-3-4-15-13(6-10)17-9(2)18;1-4-6(8)2-5(7)3-9-4;7-5-3-4(9)1-2-6(5)12(8,10)11/h3-10,25H,1-2H3,(H,22,24,26);6-8H,1-5H3,(H,15,16,17);3-7H,14H2,1-2H3,(H,15,17,18);2-3H,8H2,1H3;1-3H.

What are the key properties of N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

Where does this data come from?

All data for N-[4-(5-amino-6-methyl-3-pyridinyl)-2-pyridinyl]acetamide;5-bromo-2-methylpyridin-3-amine;2-chloro-4-fluorobenzenesulfonyl chloride;N-[4-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158955186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).