potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide

C44H57Br2KN8O8 — CID 161214727

IUPACpotassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide
SMILESCC(C)(C)OC(=O)c1cc(Br)ccn1.NC1CCC1.O=C(NC1CCC1)c1cc(NC2CCC2)ccn1.O=C(O)c1cc(Br)ccn1.O=C(O)c1cc(NC2CCC2)ccn1.[K+].[OH-]
InChIInChI=1S/C14H19N3O.C10H12BrNO2.C10H12N2O2.C6H4BrNO2.C4H9N.K.H2O/c18-14(17-11-5-2-6-11)13-9-12(7-8-15-13)16-10-3-1-4-10;1-10(2,3)14-9(13)8-6-7(11)4-5-12-8;13-10(14)9-6-8(4-5-11-9)12-7-2-1-3-7;7-4-1-2-8-5(3-4)6(9)10;5-4-2-1-3-4;;/h7-11H,1-6H2,(H,15,16)(H,17,18);4-6H,1-3H3;4-7H,1-3H2,(H,11,12)(H,13,14);1-3H,(H,9,10);4H,1-3,5H2;;1H2/q;;;;;+1;/p-1
InChIKeyUWRYCFXBGOAEKZ-UHFFFAOYSA-M
MW1024.89 g/mol
LogP5.74
Rot. Bonds9

About potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide

potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide (PubChem CID 161214727) has the molecular formula C44H57Br2KN8O8 and a molecular weight of 1024.89 g/mol. Its IUPAC name is potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide.

Molecular Properties

Compound Namepotassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide
PubChem CID161214727
Molecular FormulaC44H57Br2KN8O8
Molecular Weight1024.89 g/mol
Exact Mass1022.23
IUPAC Namepotassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide
SMILESCC(C)(C)OC(=O)c1cc(Br)ccn1.NC1CCC1.O=C(NC1CCC1)c1cc(NC2CCC2)ccn1.O=C(O)c1cc(Br)ccn1.O=C(O)c1cc(NC2CCC2)ccn1.[K+].[OH-]
InChIInChI=1S/C14H19N3O.C10H12BrNO2.C10H12N2O2.C6H4BrNO2.C4H9N.K.H2O/c18-14(17-11-5-2-6-11)13-9-12(7-8-15-13)16-10-3-1-4-10;1-10(2,3)14-9(13)8-6-7(11)4-5-12-8;13-10(14)9-6-8(4-5-11-9)12-7-2-1-3-7;7-4-1-2-8-5(3-4)6(9)10;5-4-2-1-3-4;;/h7-11H,1-6H2,(H,15,16)(H,17,18);4-6H,1-3H3;4-7H,1-3H2,(H,11,12)(H,13,14);1-3H,(H,9,10);4H,1-3,5H2;;1H2/q;;;;;+1;/p-1
InChIKeyUWRYCFXBGOAEKZ-UHFFFAOYSA-M
XLogP5.74
TPSA261.64 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001024.89
LogP ≤ 55.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-bromopyridine-2-carboxylate;morpholine;4-morpholin-4-ylpyridine-2-carboxylic acid
CID 157732211
4-aminocyclohexane-1,3-dione;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;N-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylpyridine-2-carboxamide;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride
CID 158037620
3-aminopiperidine-2,6-dione;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;N-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylpyridine-2-carboxamide;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride
CID 158271643
4-Bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;tert-butyl 4-(oxan-4-ylamino)pyridine-2-carboxylate;oxan-4-amine;4-(oxan-4-ylamino)pyridine-2-carboxylic acid
CID 159483151
N-benzyl-4-[benzyl(methyl)amino]-N-hydroxypyridine-2-carboxamide;4-[benzyl(methyl)amino]pyridine-2-carboxylic acid;methyl 4-[benzyl(methyl)amino]pyridine-2-carboxylate;methyl 4-bromopyridine-2-carboxylate
CID 159783155
bis(4-(benzylamino)-N-hydroxypyridine-2-carboxamide);4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid
CID 160205499
tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 161216234
4-(benzylamino)-N-hydroxypyridine-2-carboxamide;4-(benzylamino)-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromo-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid
CID 161456856
4-[(1-Acetylpiperidin-4-yl)amino]pyridine-2-carboxylic acid;1-(4-aminopiperidin-1-yl)ethanone;4-bromopyridine-2-carboxylic acid;tert-butyl 4-[(1-acetylpiperidin-4-yl)amino]pyridine-2-carboxylate;tert-butyl 4-bromopyridine-2-carboxylate
CID 161611056
6-Bromopyridine-2-carboxylic acid;tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[3-[(6-bromopyridine-2-carbonyl)amino]-4-pyridinyl]piperazine-1-carboxylate
CID 162018881
5-bromo-N,4-dimethylpyridine-2-carboxamide;5-bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate
CID 162122214
tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;N-methyl-5-piperazin-1-ylpyridine-2-carboxamide;methyl 5-piperazin-1-ylpyridine-2-carboxylate
CID 163823016

Frequently Asked Questions

What is the IUPAC name of potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide?
The IUPAC name of potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide (CID 161214727) is potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide.
What is the SMILES notation for potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide?
The canonical SMILES for potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide is CC(C)(C)OC(=O)c1cc(Br)ccn1.NC1CCC1.O=C(NC1CCC1)c1cc(NC2CCC2)ccn1.O=C(O)c1cc(Br)ccn1.O=C(O)c1cc(NC2CCC2)ccn1.[K+].[OH-].
What is the InChIKey of potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide?
The InChIKey is UWRYCFXBGOAEKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19N3O.C10H12BrNO2.C10H12N2O2.C6H4BrNO2.C4H9N.K.H2O/c18-14(17-11-5-2-6-11)13-9-12(7-8-15-13)16-10-3-1-4-10;1-10(2,3)14-9(13)8-6-7(11)4-5-12-8;13-10(14)9-6-8(4-5-11-9)12-7-2-1-3-7;7-4-1-2-8-5(3-4)6(9)10;5-4-2-1-3-4;;/h7-11H,1-6H2,(H,15,16)(H,17,18);4-6H,1-3H3;4-7H,1-3H2,(H,11,12)(H,13,14);1-3H,(H,9,10);4H,1-3,5H2;;1H2/q;;;;;+1;/p-1.
What are the key properties of potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide?
potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide has a molecular weight of 1024.89 g/mol, XLogP of 5.74, 9 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-bromopyridine-2-carboxylic acid;tert-butyl 4-bromopyridine-2-carboxylate;cyclobutanamine;4-(cyclobutylamino)pyridine-2-carboxylic acid;N-cyclobutyl-4-(cyclobutylamino)pyridine-2-carboxamide;hydroxide is sourced from PubChem (CID 161214727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).