N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine

C109H143N31O12S2 — CID 159338786

About N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine

N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine (PubChem CID 159338786) has the molecular formula C109H143N31O12S2 and a molecular weight of 2143.68 g/mol. Its IUPAC name is N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine.

Molecular Properties

• Compound Name: N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine
• PubChem CID: 159338786
• Molecular Formula: C109H143N31O12S2
• Molecular Weight: 2143.68 g/mol
• Exact Mass: 2142.10
• IUPAC Name: N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine
• SMILES: CC(C)c1ccc(S(=O)(=O)Nc2ccnc(NO)c2)cc1.CC(N)c1ccc(Nc2ccnc(NO)c2)cc1.CCCN1CCN(c2nc(-c3ccnc(NO)c3)cnc2N)CC1.CONc1cc(-c2cnc(N3CCCC3)c(N3CCCCCC3)n2)ccn1.CONc1cc(NC(=O)c2ccc(C(C)C)cc2)ccn1.CONc1cc(Nc2ccc(C(C)N)cc2)ccn1.Cc1cnc(NO)c2cccc(S(=O)(=O)N3CCCNCC3C)c12
• InChI: InChI=1S/C20H28N6O.C16H23N7O.C16H22N4O3S.C16H19N3O2.C14H18N4O.C14H17N3O3S.C13H16N4O/c1-27-24-18-14-16(8-9-21-18)17-15-22-19(25-12-6-7-13-25)20(23-17)26-10-4-2-3-5-11-26;1-2-5-22-6-8-23(9-7-22)16-15(17)19-11-13(20-16)12-3-4-18-14(10-12)21-24;1-11-9-18-16(19-21)13-5-3-6-14(15(11)13)24(22,23)20-8-4-7-17-10-12(20)2;1-11(2)12-4-6-13(7-5-12)16(20)18-14-8-9-17-15(10-14)19-21-3;1-10(15)11-3-5-12(6-4-11)17-13-7-8-16-14(9-13)18-19-2;1-10(2)11-3-5-13(6-4-11)21(19,20)17-12-7-8-15-14(9-12)16-18;1-9(14)10-2-4-11(5-3-10)16-12-6-7-15-13(8-12)17-18/h8-9,14-15H,2-7,10-13H2,1H3,(H,21,24);3-4,10-11,24H,2,5-9H2,1H3,(H2,17,19)(H,18,21);3,5-6,9,12,17,21H,4,7-8,10H2,1-2H3,(H,18,19);4-11H,1-3H3,(H2,17,18,19,20);3-10H,15H2,1-2H3,(H2,16,17,18);3-10,18H,1-2H3,(H2,15,16,17);2-9,18H,14H2,1H3,(H2,15,16,17)
• InChIKey: LFWLOGYBSPOQJQ-UHFFFAOYSA-N
• XLogP: 18.36
• TPSA: 574.37 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.68
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine?

The IUPAC name of N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine (CID 159338786) is N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine.

What is the SMILES notation for N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine?

The canonical SMILES for N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine is CC(C)c1ccc(S(=O)(=O)Nc2ccnc(NO)c2)cc1.CC(N)c1ccc(Nc2ccnc(NO)c2)cc1.CCCN1CCN(c2nc(-c3ccnc(NO)c3)cnc2N)CC1.CONc1cc(-c2cnc(N3CCCC3)c(N3CCCCCC3)n2)ccn1.CONc1cc(NC(=O)c2ccc(C(C)C)cc2)ccn1.CONc1cc(Nc2ccc(C(C)N)cc2)ccn1.Cc1cnc(NO)c2cccc(S(=O)(=O)N3CCCNCC3C)c12.

What is the InChIKey of N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine?

The InChIKey is LFWLOGYBSPOQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O.C16H23N7O.C16H22N4O3S.C16H19N3O2.C14H18N4O.C14H17N3O3S.C13H16N4O/c1-27-24-18-14-16(8-9-21-18)17-15-22-19(25-12-6-7-13-25)20(23-17)26-10-4-2-3-5-11-26;1-2-5-22-6-8-23(9-7-22)16-15(17)19-11-13(20-16)12-3-4-18-14(10-12)21-24;1-11-9-18-16(19-21)13-5-3-6-14(15(11)13)24(22,23)20-8-4-7-17-10-12(20)2;1-11(2)12-4-6-13(7-5-12)16(20)18-14-8-9-17-15(10-14)19-21-3;1-10(15)11-3-5-12(6-4-11)17-13-7-8-16-14(9-13)18-19-2;1-10(2)11-3-5-13(6-4-11)21(19,20)17-12-7-8-15-14(9-12)16-18;1-9(14)10-2-4-11(5-3-10)16-12-6-7-15-13(8-12)17-18/h8-9,14-15H,2-7,10-13H2,1H3,(H,21,24);3-4,10-11,24H,2,5-9H2,1H3,(H2,17,19)(H,18,21);3,5-6,9,12,17,21H,4,7-8,10H2,1-2H3,(H,18,19);4-11H,1-3H3,(H2,17,18,19,20);3-10H,15H2,1-2H3,(H2,16,17,18);3-10,18H,1-2H3,(H2,15,16,17);2-9,18H,14H2,1H3,(H2,15,16,17).

What are the key properties of N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine?

N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine has a molecular weight of 2143.68 g/mol, XLogP of 18.36, 32 rotatable bonds, 19 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1-aminoethyl)anilino]-2-pyridinyl]hydroxylamine;4-N-[4-(1-aminoethyl)phenyl]-2-N-methoxypyridine-2,4-diamine;N-[4-[5-amino-6-(4-propylpiperazin-1-yl)pyrazin-2-yl]-2-pyridinyl]hydroxylamine;4-[6-(azepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-N-methoxypyridin-2-amine;N-[2-(hydroxyamino)-4-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[2-(methoxyamino)-4-pyridinyl]-4-propan-2-ylbenzamide;N-[4-methyl-5-[(2-methyl-1,4-diazepan-1-yl)sulfonyl]isoquinolin-1-yl]hydroxylamine is sourced from PubChem (CID 159338786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).