bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one

C47H63N9O5 — CID 167577573

IUPACbis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(NC(=O)c2ccc(C(C)(C)C)cn2)C(=O)N1.C=C1CCC(NC(=O)c2ccc(C(C)(C)C)cn2)C(=O)N1.C=C1CCC(Nc2ccc(C(C)(C)C)nc2)C(=O)N1
InChIInChI=1S/2C16H21N3O2.C15H21N3O/c2*1-10-5-7-13(15(21)18-10)19-14(20)12-8-6-11(9-17-12)16(2,3)4;1-10-5-7-12(14(19)17-10)18-11-6-8-13(16-9-11)15(2,3)4/h2*6,8-9,13H,1,5,7H2,2-4H3,(H,18,21)(H,19,20);6,8-9,12,18H,1,5,7H2,2-4H3,(H,17,19)
InChIKeyGSYLFANQXWMNEK-UHFFFAOYSA-N
MW834.08 g/mol
LogP6.39
Rot. Bonds6

About bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one

bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one (PubChem CID 167577573) has the molecular formula C47H63N9O5 and a molecular weight of 834.08 g/mol. Its IUPAC name is bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Namebis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one
PubChem CID167577573
Molecular FormulaC47H63N9O5
Molecular Weight834.08 g/mol
Exact Mass833.50
IUPAC Namebis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(NC(=O)c2ccc(C(C)(C)C)cn2)C(=O)N1.C=C1CCC(NC(=O)c2ccc(C(C)(C)C)cn2)C(=O)N1.C=C1CCC(Nc2ccc(C(C)(C)C)nc2)C(=O)N1
InChIInChI=1S/2C16H21N3O2.C15H21N3O/c2*1-10-5-7-13(15(21)18-10)19-14(20)12-8-6-11(9-17-12)16(2,3)4;1-10-5-7-12(14(19)17-10)18-11-6-8-13(16-9-11)15(2,3)4/h2*6,8-9,13H,1,5,7H2,2-4H3,(H,18,21)(H,19,20);6,8-9,12,18H,1,5,7H2,2-4H3,(H,17,19)
InChIKeyGSYLFANQXWMNEK-UHFFFAOYSA-N
XLogP6.39
TPSA196.20 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.08
LogP ≤ 56.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

5-tert-butyl-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 170175526
2-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)-1,3-oxazole-5-carboxamide;5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide;3-(5-tert-butyl-3-methyl-2-methylidenebenzimidazol-1-yl)piperidine-2,6-dione;3-(6-tert-butyl-3-methyl-2-methylidenebenzimidazol-1-yl)piperidine-2,6-dione;3-[(6-tert-butyl-3-pyridinyl)methyl]-6-methylidenepiperidin-2-one
CID 167694421
3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one
CID 170129166
3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one
CID 157299388
N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182449
5-tert-butyl-N-hydroxypyridine-2-carboxamide
CID 155087996
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
CID 170079741
5-hydrazinyl-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 104642267
N-(6-methylidene-2-oxopiperidin-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162262770
N-(2,6-dioxopiperidin-3-yl)-5-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 171786638
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
5-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyridine-2-carboxylic acid
CID 113435928

Frequently Asked Questions

What is the IUPAC name of bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one?
The IUPAC name of bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one (CID 167577573) is bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one.
What is the SMILES notation for bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one?
The canonical SMILES for bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one is C=C1CCC(NC(=O)c2ccc(C(C)(C)C)cn2)C(=O)N1.C=C1CCC(NC(=O)c2ccc(C(C)(C)C)cn2)C(=O)N1.C=C1CCC(Nc2ccc(C(C)(C)C)nc2)C(=O)N1.
What is the InChIKey of bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one?
The InChIKey is GSYLFANQXWMNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H21N3O2.C15H21N3O/c2*1-10-5-7-13(15(21)18-10)19-14(20)12-8-6-11(9-17-12)16(2,3)4;1-10-5-7-12(14(19)17-10)18-11-6-8-13(16-9-11)15(2,3)4/h2*6,8-9,13H,1,5,7H2,2-4H3,(H,18,21)(H,19,20);6,8-9,12,18H,1,5,7H2,2-4H3,(H,17,19).
What are the key properties of bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one?
bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one has a molecular weight of 834.08 g/mol, XLogP of 6.39, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one is sourced from PubChem (CID 167577573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).