1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one

C73H94Br2N12O9 — CID 158305874

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(Br)c(C)n1.CCC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1.CCC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)CC(=O)C(CC)=N4)CC2)c(C)n1.CCC(=O)c1ccc(N2CCNCC2)c(C)n1.COC(=O)c1ccc(Br)c(C)n1
InChIInChI=1S/C25H30N4O2.C18H27N3O3.C13H19N3O.C9H10BrNO.C8H8BrNO2/c1-4-20-25(31)15-19-14-18(6-7-21(19)27-20)16-28-10-12-29(13-11-28)23-9-8-22(24(30)5-2)26-17(23)3;1-6-16(22)14-7-8-15(13(2)19-14)20-9-11-21(12-10-20)17(23)24-18(3,4)5;1-3-13(17)11-4-5-12(10(2)15-11)16-8-6-14-7-9-16;1-3-9(12)8-5-4-7(10)6(2)11-8;1-5-6(9)3-4-7(10-5)8(11)12-2/h6-9,14H,4-5,10-13,15-16H2,1-3H3;7-8H,6,9-12H2,1-5H3;4-5,14H,3,6-9H2,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeyGNBNOMOIKLNMAG-UHFFFAOYSA-N
MW1443.44 g/mol
LogP13.03
Rot. Bonds15

About 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one

1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one (PubChem CID 158305874) has the molecular formula C73H94Br2N12O9 and a molecular weight of 1443.44 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one
PubChem CID158305874
Molecular FormulaC73H94Br2N12O9
Molecular Weight1443.44 g/mol
Exact Mass1440.56
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(Br)c(C)n1.CCC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1.CCC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)CC(=O)C(CC)=N4)CC2)c(C)n1.CCC(=O)c1ccc(N2CCNCC2)c(C)n1.COC(=O)c1ccc(Br)c(C)n1
InChIInChI=1S/C25H30N4O2.C18H27N3O3.C13H19N3O.C9H10BrNO.C8H8BrNO2/c1-4-20-25(31)15-19-14-18(6-7-21(19)27-20)16-28-10-12-29(13-11-28)23-9-8-22(24(30)5-2)26-17(23)3;1-6-16(22)14-7-8-15(13(2)19-14)20-9-11-21(12-10-20)17(23)24-18(3,4)5;1-3-13(17)11-4-5-12(10(2)15-11)16-8-6-14-7-9-16;1-3-9(12)8-5-4-7(10)6(2)11-8;1-5-6(9)3-4-7(10-5)8(11)12-2/h6-9,14H,4-5,10-13,15-16H2,1-3H3;7-8H,6,9-12H2,1-5H3;4-5,14H,3,6-9H2,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeyGNBNOMOIKLNMAG-UHFFFAOYSA-N
XLogP13.03
TPSA242.99 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.44
LogP ≤ 513.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-bromo-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(methylcarbamoyl)-2-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide;N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
CID 158016600
2-(2-Amino-5-phenylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 157473886
3-(bromomethyl)-7-ethyl-5H-quinolin-6-one;tert-butyl 4-[6-(ethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;N-ethyl-5-[4-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide;N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 157725322
lithium;2-(2-amino-5-pyridin-4-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
CID 158522027
1-(6-chloro-5-piperazin-1-yl-2-pyridinyl)propan-1-one;6-[[4-(2-chloro-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-2-ethyl-4H-quinolin-3-one;methyl 6-chloro-5-fluoropyridine-2-carboxylate;methyl 6-chloro-5-piperazin-1-ylpyridine-2-carboxylate
CID 158535075
N-(2-amino-5-phenylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 159541349
2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methane;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 160727321
Tert-butyl 4-(2-bromo-6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[2-bromo-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 6-bromo-5-fluoropyridine-2-carboxylate
CID 161007707
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
2-(2-Amino-5-phenylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 6-bromopyridine-3-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 161236442
tert-butyl (2S)-4-(2-bromo-6-methoxycarbonyl-3-pyridinyl)-2-ethylpiperazine-1-carboxylate;methyl 6-bromo-5-[(3S)-3-ethyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyridine-2-carboxylate;methyl 6-bromo-5-[(3S)-3-ethylpiperazin-1-yl]pyridine-2-carboxylate
CID 161587010
2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 162205645

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one (CID 158305874) is 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one is CCC(=O)c1ccc(Br)c(C)n1.CCC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1.CCC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)CC(=O)C(CC)=N4)CC2)c(C)n1.CCC(=O)c1ccc(N2CCNCC2)c(C)n1.COC(=O)c1ccc(Br)c(C)n1.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one?
The InChIKey is GNBNOMOIKLNMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.C18H27N3O3.C13H19N3O.C9H10BrNO.C8H8BrNO2/c1-4-20-25(31)15-19-14-18(6-7-21(19)27-20)16-28-10-12-29(13-11-28)23-9-8-22(24(30)5-2)26-17(23)3;1-6-16(22)14-7-8-15(13(2)19-14)20-9-11-21(12-10-20)17(23)24-18(3,4)5;1-3-13(17)11-4-5-12(10(2)15-11)16-8-6-14-7-9-16;1-3-9(12)8-5-4-7(10)6(2)11-8;1-5-6(9)3-4-7(10-5)8(11)12-2/h6-9,14H,4-5,10-13,15-16H2,1-3H3;7-8H,6,9-12H2,1-5H3;4-5,14H,3,6-9H2,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3.
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one?
1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one has a molecular weight of 1443.44 g/mol, XLogP of 13.03, 15 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)propan-1-one;tert-butyl 4-(2-methyl-6-propanoyl-3-pyridinyl)piperazine-1-carboxylate;2-ethyl-6-[[4-(2-methyl-6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 5-bromo-6-methylpyridine-2-carboxylate;1-(6-methyl-5-piperazin-1-yl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 158305874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).