2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide

C134H205N17O12 — CID 157246700

IUPAC2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2(C(=O)NCCCN3CCOCC3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCCCN3CCOCC3)CCCCC2)cc(C(C)(C)C)n1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3cccnc3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccncc3)CCCCC2)cc(C(C)(C)C)n1.CNC(=O)C1(NC(=O)c2cc(C(C)(C)C)nc(C(C)(C)C)c2)CCCCC1
InChIInChI=1S/C29H47N3O3.C28H46N4O3.C28H39N3O2.C27H38N4O2.C22H35N3O2/c1-27(2,3)23-19-22(20-24(21-23)28(4,5)6)25(33)31-29(11-8-7-9-12-29)26(34)30-13-10-14-32-15-17-35-18-16-32;1-26(2,3)22-19-21(20-23(30-22)27(4,5)6)24(33)31-28(11-8-7-9-12-28)25(34)29-13-10-14-32-15-17-35-18-16-32;1-26(2,3)22-15-21(16-23(17-22)27(4,5)6)24(32)31-28(12-8-7-9-13-28)25(33)30-19-20-11-10-14-29-18-20;1-25(2,3)21-16-20(17-22(30-21)26(4,5)6)23(32)31-27(12-8-7-9-13-27)24(33)29-18-19-10-14-28-15-11-19;1-20(2,3)16-13-15(14-17(24-16)21(4,5)6)18(26)25-22(19(27)23-7)11-9-8-10-12-22/h19-21H,7-18H2,1-6H3,(H,30,34)(H,31,33);19-20H,7-18H2,1-6H3,(H,29,34)(H,31,33);10-11,14-18H,7-9,12-13,19H2,1-6H3,(H,30,33)(H,31,32);10-11,14-17H,7-9,12-13,18H2,1-6H3,(H,29,33)(H,31,32);13-14H,8-12H2,1-7H3,(H,23,27)(H,25,26)
InChIKeyAVVXPNZHDWFQSL-UHFFFAOYSA-N
MW2246.22 g/mol
LogP22.60
Rot. Bonds27

About 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide

2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide (PubChem CID 157246700) has the molecular formula C134H205N17O12 and a molecular weight of 2246.22 g/mol. Its IUPAC name is 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide
PubChem CID157246700
Molecular FormulaC134H205N17O12
Molecular Weight2246.22 g/mol
Exact Mass2244.60
IUPAC Name2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2(C(=O)NCCCN3CCOCC3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCCCN3CCOCC3)CCCCC2)cc(C(C)(C)C)n1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3cccnc3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccncc3)CCCCC2)cc(C(C)(C)C)n1.CNC(=O)C1(NC(=O)c2cc(C(C)(C)C)nc(C(C)(C)C)c2)CCCCC1
InChIInChI=1S/C29H47N3O3.C28H46N4O3.C28H39N3O2.C27H38N4O2.C22H35N3O2/c1-27(2,3)23-19-22(20-24(21-23)28(4,5)6)25(33)31-29(11-8-7-9-12-29)26(34)30-13-10-14-32-15-17-35-18-16-32;1-26(2,3)22-19-21(20-23(30-22)27(4,5)6)24(33)31-28(11-8-7-9-12-28)25(34)29-13-10-14-32-15-17-35-18-16-32;1-26(2,3)22-15-21(16-23(17-22)27(4,5)6)24(32)31-28(12-8-7-9-13-28)25(33)30-19-20-11-10-14-29-18-20;1-25(2,3)21-16-20(17-22(30-21)26(4,5)6)23(32)31-27(12-8-7-9-13-27)24(33)29-18-19-10-14-28-15-11-19;1-20(2,3)16-13-15(14-17(24-16)21(4,5)6)18(26)25-22(19(27)23-7)11-9-8-10-12-22/h19-21H,7-18H2,1-6H3,(H,30,34)(H,31,33);19-20H,7-18H2,1-6H3,(H,29,34)(H,31,33);10-11,14-18H,7-9,12-13,19H2,1-6H3,(H,30,33)(H,31,32);10-11,14-17H,7-9,12-13,18H2,1-6H3,(H,29,33)(H,31,32);13-14H,8-12H2,1-7H3,(H,23,27)(H,25,26)
InChIKeyAVVXPNZHDWFQSL-UHFFFAOYSA-N
XLogP22.60
TPSA380.39 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002246.22
LogP ≤ 522.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide with MolForge

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Related Compounds

5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyridine-2-carboxamide
CID 24916864
US11459339, Example 9
CID 139375270
1,1''-(2,2''-((3R,3''R,6R,6''R)-(((2R,2''R)-([2,2''-bipyridine]-3,3''-dicarbonyl)bis(2-methylpiperazine-4,1-diyl))bis(methylene)) bis(3-methylpiperazine-6,1-diyl))bis(acetyl))bis(6-(4-fluorobenzyl)-3,3-dimethyl-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-b]pyridin-5-one)
CID 177895596
(13S,4S,12S,E)-N-(2-(2-aminoethoxy)ethyl)-13-benzyl-2,5,10,16,19-pentaoxo-4-(4-(pyridin-4-yl)benzyl)-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-ene-12-carboxamide
CID 156485836
1-N-[4-(4,4-dimethylpiperidin-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]-3-N-methyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 56649435
1-methyl-1-N-(2-morpholin-4-ylethyl)-3-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide
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N-(2-methoxyethyl)-N-methyl-4-[2-[methyl-[[6-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]pyridin-2-yl]methyl]amino]ethyl]piperazine-1-carboxamide
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CID 68097232
N-(2-methoxyethyl)-4-(2-(methyl((6-(4-(piperidin-1-yl)-2-(4-(3-(trifluoromethyl)benzylcarbamoyl)pyridin-2-yl)phenylcarbamoyl)pyridin-2-yl)methyl)amino)ethyl)piperazine-1-carboxamide
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N1-Ethyl-N1-(2-morpholinoethyl)-N3-(4-(piperidin-1-yl)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)isophthalamide
CID 69631832

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide (CID 157246700) is 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)NC2(C(=O)NCCCN3CCOCC3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCCCN3CCOCC3)CCCCC2)cc(C(C)(C)C)n1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3cccnc3)CCCCC2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)NC2(C(=O)NCc3ccncc3)CCCCC2)cc(C(C)(C)C)n1.CNC(=O)C1(NC(=O)c2cc(C(C)(C)C)nc(C(C)(C)C)c2)CCCCC1.
What is the InChIKey of 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide?
The InChIKey is AVVXPNZHDWFQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47N3O3.C28H46N4O3.C28H39N3O2.C27H38N4O2.C22H35N3O2/c1-27(2,3)23-19-22(20-24(21-23)28(4,5)6)25(33)31-29(11-8-7-9-12-29)26(34)30-13-10-14-32-15-17-35-18-16-32;1-26(2,3)22-19-21(20-23(30-22)27(4,5)6)24(33)31-28(11-8-7-9-12-28)25(34)29-13-10-14-32-15-17-35-18-16-32;1-26(2,3)22-15-21(16-23(17-22)27(4,5)6)24(32)31-28(12-8-7-9-13-28)25(33)30-19-20-11-10-14-29-18-20;1-25(2,3)21-16-20(17-22(30-21)26(4,5)6)23(32)31-27(12-8-7-9-13-27)24(33)29-18-19-10-14-28-15-11-19;1-20(2,3)16-13-15(14-17(24-16)21(4,5)6)18(26)25-22(19(27)23-7)11-9-8-10-12-22/h19-21H,7-18H2,1-6H3,(H,30,34)(H,31,33);19-20H,7-18H2,1-6H3,(H,29,34)(H,31,33);10-11,14-18H,7-9,12-13,19H2,1-6H3,(H,30,33)(H,31,32);10-11,14-17H,7-9,12-13,18H2,1-6H3,(H,29,33)(H,31,32);13-14H,8-12H2,1-7H3,(H,23,27)(H,25,26).
What are the key properties of 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide?
2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide has a molecular weight of 2246.22 g/mol, XLogP of 22.60, 27 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-N-[1-(methylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(3-morpholin-4-ylpropylcarbamoyl)cyclohexyl]pyridine-4-carboxamide;3,5-ditert-butyl-N-[1-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]benzamide;2,6-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 157246700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).