6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride

C70H92ClFN12O8S2 — CID 162239841

IUPAC6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride
SMILESCC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1.CC(=O)N1CCC2(CCNCC2)C1.CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(Cl)nc1.F
InChIInChI=1S/C26H29N5O2S.C21H20ClN3O3S.C13H24N2O2.C10H18N2O.FH/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23;1-21(2,3)28-20(27)25-15-8-6-13(17-5-4-10-29-17)11-16(15)24-19(26)14-7-9-18(22)23-12-14;1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13;1-9(13)12-7-4-10(8-12)2-5-11-6-3-10;/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33);4-12H,1-3H3,(H,24,26)(H,25,27);14H,4-10H2,1-3H3;11H,2-8H2,1H3;1H
InChIKeyZWNYHJQLWHLJIK-UHFFFAOYSA-N
MW1348.17 g/mol
LogP13.30
Rot. Bonds8

About 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride

6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride (PubChem CID 162239841) has the molecular formula C70H92ClFN12O8S2 and a molecular weight of 1348.17 g/mol. Its IUPAC name is 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride.

Molecular Properties

Compound Name6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride
PubChem CID162239841
Molecular FormulaC70H92ClFN12O8S2
Molecular Weight1348.17 g/mol
Exact Mass1346.63
IUPAC Name6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride
SMILESCC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1.CC(=O)N1CCC2(CCNCC2)C1.CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(Cl)nc1.F
InChIInChI=1S/C26H29N5O2S.C21H20ClN3O3S.C13H24N2O2.C10H18N2O.FH/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23;1-21(2,3)28-20(27)25-15-8-6-13(17-5-4-10-29-17)11-16(15)24-19(26)14-7-9-18(22)23-12-14;1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13;1-9(13)12-7-4-10(8-12)2-5-11-6-3-10;/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33);4-12H,1-3H3,(H,24,26)(H,25,27);14H,4-10H2,1-3H3;11H,2-8H2,1H3;1H
InChIKeyZWNYHJQLWHLJIK-UHFFFAOYSA-N
XLogP13.30
TPSA245.79 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001348.17
LogP ≤ 513.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride with MolForge

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
CID 139451621
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
CID 25184385
[1-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]phosphonic acid
CID 69003485
tert-butyl (5R)-2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 143469921
N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
CID 139460390
tert-butyl 4-methyl-4-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 121405217
tert-butyl N-[4-(furan-3-yl)-2-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]phenyl]carbamate
CID 134518981
N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-methyl-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 121405098
2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;5-bromo-1,3-thiazole-2-carboxylic acid;tert-butyl 4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]-1,3-thiazol-5-yl]piperazine-1-carboxylate;methyl 5-bromo-1,3-thiazole-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylic acid
CID 158213576
tert-butyl N-[2-[[6-(4-benzylpiperazin-1-yl)pyridine-3-carbonyl]amino]phenyl]carbamate;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl]carbamate
CID 158182406
ethyl-[1'-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamic acid
CID 66757343

Frequently Asked Questions

What is the IUPAC name of 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride?
The IUPAC name of 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride (CID 162239841) is 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride.
What is the SMILES notation for 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride?
The canonical SMILES for 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride is CC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1.CC(=O)N1CCC2(CCNCC2)C1.CC(C)(C)OC(=O)N1CCC2(CCNC2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(Cl)nc1.F.
What is the InChIKey of 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride?
The InChIKey is ZWNYHJQLWHLJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S.C21H20ClN3O3S.C13H24N2O2.C10H18N2O.FH/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23;1-21(2,3)28-20(27)25-15-8-6-13(17-5-4-10-29-17)11-16(15)24-19(26)14-7-9-18(22)23-12-14;1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13;1-9(13)12-7-4-10(8-12)2-5-11-6-3-10;/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33);4-12H,1-3H3,(H,24,26)(H,25,27);14H,4-10H2,1-3H3;11H,2-8H2,1H3;1H.
What are the key properties of 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride?
6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride has a molecular weight of 1348.17 g/mol, XLogP of 13.30, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;1-(2,8-diazaspiro[4.5]decan-2-yl)ethanone;hydrofluoride is sourced from PubChem (CID 162239841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).