lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate

C56H69Cl5LiN13O10 — CID 157057993

IUPAClithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
SMILESCN1CCN(c2cc(C(=O)[O-])cc(NC3CCC3)n2)CC1.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Cl)nc(N2CCN(C)CC2)c1.COC(=O)c1cc(NC2CCC2)nc(N2CCN(C)CC2)c1.O=C(O)c1cc(Cl)nc(Cl)c1.[Li+]
InChIInChI=1S/C16H24N4O2.C15H22N4O2.C12H16ClN3O2.C7H5Cl2NO2.C6H3Cl2NO2.Li/c1-19-6-8-20(9-7-19)15-11-12(16(21)22-2)10-14(18-15)17-13-4-3-5-13;1-18-5-7-19(8-6-18)14-10-11(15(20)21)9-13(17-14)16-12-3-2-4-12;1-15-3-5-16(6-4-15)11-8-9(12(17)18-2)7-10(13)14-11;1-12-7(11)4-2-5(8)10-6(9)3-4;7-4-1-3(6(10)11)2-5(8)9-4;/h10-11,13H,3-9H2,1-2H3,(H,17,18);9-10,12H,2-8H2,1H3,(H,16,17)(H,20,21);7-8H,3-6H2,1-2H3;2-3H,1H3;1-2H,(H,10,11);/q;;;;;+1/p-1
InChIKeyLICXWSFPFXKPOR-UHFFFAOYSA-M
MW1268.45 g/mol
LogP4.28
Rot. Bonds12

About lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate

lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate (PubChem CID 157057993) has the molecular formula C56H69Cl5LiN13O10 and a molecular weight of 1268.45 g/mol. Its IUPAC name is lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

Compound Namelithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
PubChem CID157057993
Molecular FormulaC56H69Cl5LiN13O10
Molecular Weight1268.45 g/mol
Exact Mass1265.39
IUPAC Namelithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
SMILESCN1CCN(c2cc(C(=O)[O-])cc(NC3CCC3)n2)CC1.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Cl)nc(N2CCN(C)CC2)c1.COC(=O)c1cc(NC2CCC2)nc(N2CCN(C)CC2)c1.O=C(O)c1cc(Cl)nc(Cl)c1.[Li+]
InChIInChI=1S/C16H24N4O2.C15H22N4O2.C12H16ClN3O2.C7H5Cl2NO2.C6H3Cl2NO2.Li/c1-19-6-8-20(9-7-19)15-11-12(16(21)22-2)10-14(18-15)17-13-4-3-5-13;1-18-5-7-19(8-6-18)14-10-11(15(20)21)9-13(17-14)16-12-3-2-4-12;1-15-3-5-16(6-4-15)11-8-9(12(17)18-2)7-10(13)14-11;1-12-7(11)4-2-5(8)10-6(9)3-4;7-4-1-3(6(10)11)2-5(8)9-4;/h10-11,13H,3-9H2,1-2H3,(H,17,18);9-10,12H,2-8H2,1H3,(H,16,17)(H,20,21);7-8H,3-6H2,1-2H3;2-3H,1H3;1-2H,(H,10,11);/q;;;;;+1/p-1
InChIKeyLICXWSFPFXKPOR-UHFFFAOYSA-M
XLogP4.28
TPSA264.28 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001268.45
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-piperidin-1-ylpyridine-4-carboxylic acid;cyclohexane;2,6-dichloropyridine-4-carboxylic acid
CID 158605377
tert-butyl 2-chloro-6-(cyclobutylamino)pyridine-4-carboxylate;tert-butyl 2,6-dichloropyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-ethylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dichloropyridine-4-carboxylic acid;1-ethylpiperidine;iodocopper
CID 157456478
2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
tert-butyl 4-(6-chloro-4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229586
N-cyclobutyl-4-methyl-6-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 118549406
2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114546957
2-chloro-6-[(1,1-dioxothian-3-yl)amino]pyridine-4-carboxylic acid
CID 63922375
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
methyl 2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-4-carboxylate
CID 126600693
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580
3-[[6-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 156562925
2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 82691470

Frequently Asked Questions

What is the IUPAC name of lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?
The IUPAC name of lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate (CID 157057993) is lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate.
What is the SMILES notation for lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?
The canonical SMILES for lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate is CN1CCN(c2cc(C(=O)[O-])cc(NC3CCC3)n2)CC1.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Cl)nc(N2CCN(C)CC2)c1.COC(=O)c1cc(NC2CCC2)nc(N2CCN(C)CC2)c1.O=C(O)c1cc(Cl)nc(Cl)c1.[Li+].
What is the InChIKey of lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?
The InChIKey is LICXWSFPFXKPOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24N4O2.C15H22N4O2.C12H16ClN3O2.C7H5Cl2NO2.C6H3Cl2NO2.Li/c1-19-6-8-20(9-7-19)15-11-12(16(21)22-2)10-14(18-15)17-13-4-3-5-13;1-18-5-7-19(8-6-18)14-10-11(15(20)21)9-13(17-14)16-12-3-2-4-12;1-15-3-5-16(6-4-15)11-8-9(12(17)18-2)7-10(13)14-11;1-12-7(11)4-2-5(8)10-6(9)3-4;7-4-1-3(6(10)11)2-5(8)9-4;/h10-11,13H,3-9H2,1-2H3,(H,17,18);9-10,12H,2-8H2,1H3,(H,16,17)(H,20,21);7-8H,3-6H2,1-2H3;2-3H,1H3;1-2H,(H,10,11);/q;;;;;+1/p-1.
What are the key properties of lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?
lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate has a molecular weight of 1268.45 g/mol, XLogP of 4.28, 12 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;2,6-dichloropyridine-4-carboxylic acid;methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2-(cyclobutylamino)-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 157057993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).