2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine

C78H96BrN13O10 — CID 158248448

IUPAC2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine
SMILESCC(C)Oc1cccc(C2CCN(CCc3cccnc3N3CCCCC3=O)C2)n1.CC(C)Oc1cccc(C2CCNC2)n1.CO/C=C/c1cccnc1N1CCCCC1=O.O=CCc1cccnc1N1CCCCC1=O.O=Cc1cccnc1Br.O=Cc1cccnc1N1CCCCC1=O
InChIInChI=1S/C24H32N4O2.C13H16N2O2.C12H14N2O2.C12H18N2O.C11H12N2O2.C6H4BrNO/c1-18(2)30-22-9-5-8-21(26-22)20-12-16-27(17-20)15-11-19-7-6-13-25-24(19)28-14-4-3-10-23(28)29;1-17-10-7-11-5-4-8-14-13(11)15-9-3-2-6-12(15)16;15-9-6-10-4-3-7-13-12(10)14-8-2-1-5-11(14)16;1-9(2)15-12-5-3-4-11(14-12)10-6-7-13-8-10;14-8-9-4-3-6-12-11(9)13-7-2-1-5-10(13)15;7-6-5(4-9)2-1-3-8-6/h5-9,13,18,20H,3-4,10-12,14-17H2,1-2H3;4-5,7-8,10H,2-3,6,9H2,1H3;3-4,7,9H,1-2,5-6,8H2;3-5,9-10,13H,6-8H2,1-2H3;3-4,6,8H,1-2,5,7H2;1-4H/b;10-7+;;;;
InChIKeyGGKKQXTUECBIFL-OGCILFTESA-N
MW1455.61 g/mol
LogP12.38
Rot. Bonds19

About 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine

2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine (PubChem CID 158248448) has the molecular formula C78H96BrN13O10 and a molecular weight of 1455.61 g/mol. Its IUPAC name is 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine.

Molecular Properties

Compound Name2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine
PubChem CID158248448
Molecular FormulaC78H96BrN13O10
Molecular Weight1455.61 g/mol
Exact Mass1453.66
IUPAC Name2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine
SMILESCC(C)Oc1cccc(C2CCN(CCc3cccnc3N3CCCCC3=O)C2)n1.CC(C)Oc1cccc(C2CCNC2)n1.CO/C=C/c1cccnc1N1CCCCC1=O.O=CCc1cccnc1N1CCCCC1=O.O=Cc1cccnc1Br.O=Cc1cccnc1N1CCCCC1=O
InChIInChI=1S/C24H32N4O2.C13H16N2O2.C12H14N2O2.C12H18N2O.C11H12N2O2.C6H4BrNO/c1-18(2)30-22-9-5-8-21(26-22)20-12-16-27(17-20)15-11-19-7-6-13-25-24(19)28-14-4-3-10-23(28)29;1-17-10-7-11-5-4-8-14-13(11)15-9-3-2-6-12(15)16;15-9-6-10-4-3-7-13-12(10)14-8-2-1-5-11(14)16;1-9(2)15-12-5-3-4-11(14-12)10-6-7-13-8-10;14-8-9-4-3-6-12-11(9)13-7-2-1-5-10(13)15;7-6-5(4-9)2-1-3-8-6/h5-9,13,18,20H,3-4,10-12,14-17H2,1-2H3;4-5,7-8,10H,2-3,6,9H2,1H3;3-4,7,9H,1-2,5-6,8H2;3-5,9-10,13H,6-8H2,1-2H3;3-4,6,8H,1-2,5,7H2;1-4H/b;10-7+;;;;
InChIKeyGGKKQXTUECBIFL-OGCILFTESA-N
XLogP12.38
TPSA265.64 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001455.61
LogP ≤ 512.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine with MolForge

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Related Compounds

[6-(2-Aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157193468
[6-[(3R)-3-amino-5-methylhexyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(1,1-difluoroethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 159229060
5-bromo-3-[[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-[5-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate
CID 157249805
5-bromo-1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium;5-bromo-3-[[6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tert-butyl N-[5-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-methoxymethyl]-2-pyridinyl]-N-[(6-methoxy-3-pyridinyl)methyl]carbamate;tert-butyl N-(5-formyl-2-pyridinyl)-N-[(6-methoxy-3-pyridinyl)methyl]carbamate
CID 157350692
(7S)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7R)-2-[4-[(6-ethoxy-3-pyridinyl)oxy]piperidin-1-yl]-7-(2-hydroxyethyl)-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 157433393
N-[(6-amino-2-pyridinyl)sulfonyl]-5-bromo-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 157738918
2-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-4-carboxamide;6-amino-N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-bromopyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-oxo-1H-pyridine-4-carboxamide;N-[3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 158028769
(7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 158875242
1-[3-(5-bromo-3-pyridinyl)phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-1-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-oxo-1H-pyridin-3-yl)phenyl]-1,8-naphthyridine-3-carboxamide;N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 160524811
2-[(3S)-4-[(6-methoxy-3-pyridinyl)oxy]-3-methylpiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[(3R)-4-[(6-methoxy-3-pyridinyl)oxy]-3-methylpiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 160673769
2-[(3S,4S)-4-[(6-methoxy-3-pyridinyl)oxy]-3-methylpiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[(3R,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-3-methylpiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 160673771
2-[(3S,4R)-4-[(6-methoxy-3-pyridinyl)oxy]-3-methylpiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[(3R,4S)-4-[(6-methoxy-3-pyridinyl)oxy]-3-methylpiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 160673772

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine?
The IUPAC name of 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine (CID 158248448) is 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine.
What is the SMILES notation for 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine?
The canonical SMILES for 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine is CC(C)Oc1cccc(C2CCN(CCc3cccnc3N3CCCCC3=O)C2)n1.CC(C)Oc1cccc(C2CCNC2)n1.CO/C=C/c1cccnc1N1CCCCC1=O.O=CCc1cccnc1N1CCCCC1=O.O=Cc1cccnc1Br.O=Cc1cccnc1N1CCCCC1=O.
What is the InChIKey of 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine?
The InChIKey is GGKKQXTUECBIFL-OGCILFTESA-N. The full InChI is InChI=1S/C24H32N4O2.C13H16N2O2.C12H14N2O2.C12H18N2O.C11H12N2O2.C6H4BrNO/c1-18(2)30-22-9-5-8-21(26-22)20-12-16-27(17-20)15-11-19-7-6-13-25-24(19)28-14-4-3-10-23(28)29;1-17-10-7-11-5-4-8-14-13(11)15-9-3-2-6-12(15)16;15-9-6-10-4-3-7-13-12(10)14-8-2-1-5-11(14)16;1-9(2)15-12-5-3-4-11(14-12)10-6-7-13-8-10;14-8-9-4-3-6-12-11(9)13-7-2-1-5-10(13)15;7-6-5(4-9)2-1-3-8-6/h5-9,13,18,20H,3-4,10-12,14-17H2,1-2H3;4-5,7-8,10H,2-3,6,9H2,1H3;3-4,7,9H,1-2,5-6,8H2;3-5,9-10,13H,6-8H2,1-2H3;3-4,6,8H,1-2,5,7H2;1-4H/b;10-7+;;;;.
What are the key properties of 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine?
2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine has a molecular weight of 1455.61 g/mol, XLogP of 12.38, 19 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine-3-carbaldehyde;1-[3-[(E)-2-methoxyethenyl]-2-pyridinyl]piperidin-2-one;2-(2-oxopiperidin-1-yl)pyridine-3-carbaldehyde;2-[2-(2-oxopiperidin-1-yl)-3-pyridinyl]acetaldehyde;1-[3-[2-[3-(6-propan-2-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethyl]-2-pyridinyl]piperidin-2-one;2-propan-2-yloxy-6-pyrrolidin-3-ylpyridine is sourced from PubChem (CID 158248448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).