4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine

C60H66BBrCl2N18O10 — CID 159752847

IUPAC4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine
SMILESCCNC(=O)NC(=O)CCl.CCNC(=O)Nc1cn2ccc(-c3cccnc3)cc2n1.CCOC(=O)NC(=O)CCl.CCOC(=O)Nc1cn2ccc(-c3cccnc3)cc2n1.Nc1cc(-c2cccnc2)ccn1.Nc1cc(Br)ccn1.OB(O)c1cccnc1
InChIInChI=1S/C15H15N5O.C15H14N4O2.C10H9N3.C5H6BNO2.C5H5BrN2.C5H9ClN2O2.C5H8ClNO3/c1-2-17-15(21)19-13-10-20-7-5-11(8-14(20)18-13)12-4-3-6-16-9-12;1-2-21-15(20)18-13-10-19-7-5-11(8-14(19)17-13)12-4-3-6-16-9-12;11-10-6-8(3-5-13-10)9-2-1-4-12-7-9;8-6(9)5-2-1-3-7-4-5;6-4-1-2-8-5(7)3-4;1-2-7-5(10)8-4(9)3-6;1-2-10-5(9)7-4(8)3-6/h3-10H,2H2,1H3,(H2,17,19,21);3-10H,2H2,1H3,(H,18,20);1-7H,(H2,11,13);1-4,8-9H;1-3H,(H2,7,8);2-3H2,1H3,(H2,7,8,9,10);2-3H2,1H3,(H,7,8,9)
InChIKeyNDWFSKRHQVWGFV-UHFFFAOYSA-N
MW1360.93 g/mol
LogP7.98
Rot. Bonds12

About 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine

4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine (PubChem CID 159752847) has the molecular formula C60H66BBrCl2N18O10 and a molecular weight of 1360.93 g/mol. Its IUPAC name is 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine
PubChem CID159752847
Molecular FormulaC60H66BBrCl2N18O10
Molecular Weight1360.93 g/mol
Exact Mass1358.39
IUPAC Name4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine
SMILESCCNC(=O)NC(=O)CCl.CCNC(=O)Nc1cn2ccc(-c3cccnc3)cc2n1.CCOC(=O)NC(=O)CCl.CCOC(=O)Nc1cn2ccc(-c3cccnc3)cc2n1.Nc1cc(-c2cccnc2)ccn1.Nc1cc(Br)ccn1.OB(O)c1cccnc1
InChIInChI=1S/C15H15N5O.C15H14N4O2.C10H9N3.C5H6BNO2.C5H5BrN2.C5H9ClN2O2.C5H8ClNO3/c1-2-17-15(21)19-13-10-20-7-5-11(8-14(20)18-13)12-4-3-6-16-9-12;1-2-21-15(20)18-13-10-19-7-5-11(8-14(19)17-13)12-4-3-6-16-9-12;11-10-6-8(3-5-13-10)9-2-1-4-12-7-9;8-6(9)5-2-1-3-7-4-5;6-4-1-2-8-5(7)3-4;1-2-7-5(10)8-4(9)3-6;1-2-10-5(9)7-4(8)3-6/h3-10H,2H2,1H3,(H2,17,19,21);3-10H,2H2,1H3,(H,18,20);1-7H,(H2,11,13);1-4,8-9H;1-3H,(H2,7,8);2-3H2,1H3,(H2,7,8,9,10);2-3H2,1H3,(H,7,8,9)
InChIKeyNDWFSKRHQVWGFV-UHFFFAOYSA-N
XLogP7.98
TPSA397.50 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001360.93
LogP ≤ 57.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine (CID 159752847) is 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine is CCNC(=O)NC(=O)CCl.CCNC(=O)Nc1cn2ccc(-c3cccnc3)cc2n1.CCOC(=O)NC(=O)CCl.CCOC(=O)Nc1cn2ccc(-c3cccnc3)cc2n1.Nc1cc(-c2cccnc2)ccn1.Nc1cc(Br)ccn1.OB(O)c1cccnc1.
What is the InChIKey of 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine?
The InChIKey is NDWFSKRHQVWGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O.C15H14N4O2.C10H9N3.C5H6BNO2.C5H5BrN2.C5H9ClN2O2.C5H8ClNO3/c1-2-17-15(21)19-13-10-20-7-5-11(8-14(20)18-13)12-4-3-6-16-9-12;1-2-21-15(20)18-13-10-19-7-5-11(8-14(19)17-13)12-4-3-6-16-9-12;11-10-6-8(3-5-13-10)9-2-1-4-12-7-9;8-6(9)5-2-1-3-7-4-5;6-4-1-2-8-5(7)3-4;1-2-7-5(10)8-4(9)3-6;1-2-10-5(9)7-4(8)3-6/h3-10H,2H2,1H3,(H2,17,19,21);3-10H,2H2,1H3,(H,18,20);1-7H,(H2,11,13);1-4,8-9H;1-3H,(H2,7,8);2-3H2,1H3,(H2,7,8,9,10);2-3H2,1H3,(H,7,8,9).
What are the key properties of 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine?
4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine has a molecular weight of 1360.93 g/mol, XLogP of 7.98, 12 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridin-2-amine;2-chloro-N-(ethylcarbamoyl)acetamide;ethyl N-(2-chloroacetyl)carbamate;ethyl N-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)carbamate;1-ethyl-3-(7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea;pyridin-3-ylboronic acid;4-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 159752847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).