2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide

C40H32Br4N14O12 — CID 158788001

IUPAC2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide
SMILESBr.CC(=O)/C=C/c1cnc2[nH]c(=O)[nH]c(=O)c2c1.NC(=O)c1cc(Br)cnc1N.Nc1ncc(Br)cc1C(=O)O.O=C(O)/C=C/c1cnc2[nH]c(=O)[nH]c(=O)c2c1.O=c1[nH]c(=O)c2cc(Br)cnc2[nH]1
InChIInChI=1S/C11H9N3O3.C10H7N3O4.C7H4BrN3O2.C6H6BrN3O.C6H5BrN2O2.BrH/c1-6(15)2-3-7-4-8-9(12-5-7)13-11(17)14-10(8)16;14-7(15)2-1-5-3-6-8(11-4-5)12-10(17)13-9(6)16;8-3-1-4-5(9-2-3)10-7(13)11-6(4)12;7-3-1-4(6(9)11)5(8)10-2-3;7-3-1-4(6(10)11)5(8)9-2-3;/h2-5H,1H3,(H2,12,13,14,16,17);1-4H,(H,14,15)(H2,11,12,13,16,17);1-2H,(H2,9,10,11,12,13);1-2H,(H2,8,10)(H2,9,11);1-2H,(H2,8,9)(H,10,11);1H/b3-2+;2-1+;;;;
InChIKeySNZRVQUNAHVTKL-SGHKHRPESA-N
MW1220.40 g/mol
LogP2.52
Rot. Bonds6

About 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide

2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide (PubChem CID 158788001) has the molecular formula C40H32Br4N14O12 and a molecular weight of 1220.40 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide.

Molecular Properties

Compound Name2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide
PubChem CID158788001
Molecular FormulaC40H32Br4N14O12
Molecular Weight1220.40 g/mol
Exact Mass1215.91
IUPAC Name2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide
SMILESBr.CC(=O)/C=C/c1cnc2[nH]c(=O)[nH]c(=O)c2c1.NC(=O)c1cc(Br)cnc1N.Nc1ncc(Br)cc1C(=O)O.O=C(O)/C=C/c1cnc2[nH]c(=O)[nH]c(=O)c2c1.O=c1[nH]c(=O)c2cc(Br)cnc2[nH]1
InChIInChI=1S/C11H9N3O3.C10H7N3O4.C7H4BrN3O2.C6H6BrN3O.C6H5BrN2O2.BrH/c1-6(15)2-3-7-4-8-9(12-5-7)13-11(17)14-10(8)16;14-7(15)2-1-5-3-6-8(11-4-5)12-10(17)13-9(6)16;8-3-1-4-5(9-2-3)10-7(13)11-6(4)12;7-3-1-4(6(9)11)5(8)10-2-3;7-3-1-4(6(10)11)5(8)9-2-3;/h2-5H,1H3,(H2,12,13,14,16,17);1-4H,(H,14,15)(H2,11,12,13,16,17);1-2H,(H2,9,10,11,12,13);1-2H,(H2,8,10)(H2,9,11);1-2H,(H2,8,9)(H,10,11);1H/b3-2+;2-1+;;;;
InChIKeySNZRVQUNAHVTKL-SGHKHRPESA-N
XLogP2.52
TPSA448.41 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.40
LogP ≤ 52.52
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide with MolForge

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Related Compounds

Octaoxidanium;dizinc;tetrakis(5-bromopyridine-3-carboxylate);tetrakis(5-bromopyridine-3-carboxylic acid)
CID 168348334
5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;tert-butyl 4-[3-bromo-5-[(3,4-difluorophenyl)methyl-ethylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate;N-[(3,4-difluorophenyl)methyl]ethanamine
CID 157059584
acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 157153285
5-(2-acetamido-4-pyridinyl)-N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)pyridine-3-carboxamide;bicyclo[1.1.1]pentan-1-amine;N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide;5-bromo-2-(dimethylamino)pyridine-3-carboxylic acid;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 157234519
6-amino-5-bromo-N-methyl-N-propylpyridine-3-carboxamide;6-amino-5-bromopyridine-3-carboxylic acid;tert-butyl 6-amino-5-bromopyridine-3-carboxylate;ethyl 6-amino-5-bromopyridine-3-carboxylate
CID 157373417
6-(benzylamino)-N-[6-(benzylamino)-2-pyridinyl]pyridine-3-carboxamide;6-N-[[6-(benzylamino)-3-pyridinyl]methyl]pyridine-2,6-diamine;6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridin-2-amine;6-bromopyridine-3-carboxylic acid;methane
CID 157451491
acetic acid;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-4-chloropyrido[2,3-d]pyrimidine;6-bromopyrido[2,3-d]pyrimidin-4-amine;6-bromo-3H-pyrido[2,3-d]pyrimidin-4-one;methane;methanimidamide;phosphoryl trichloride
CID 157816039
6-bromo-N-(5-bromo-2-pyridinyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;6-bromopyridine-3-carboxylic acid;5-butyl-N-[[6-(propylamino)-3-pyridinyl]methyl]pyridin-2-amine;N-(5-butyl-2-pyridinyl)-6-(propylamino)pyridine-3-carboxamide;methane
CID 157821957
6-aminopyridine-3-carboxylic acid;6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;5-fluoropyridin-2-amine
CID 158371918
4-bromoaniline;N-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;ethane;6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 158425390
2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;tert-butyl (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoate;hydrobromide
CID 158572491
tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;1-O-tert-butyl 6-O-methyl 3,4-dihydro-2H-1,8-naphthyridine-1,6-dicarboxylate;ethane;8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylic acid;methyl 5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate
CID 158721042

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide?
The IUPAC name of 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide (CID 158788001) is 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide.
What is the SMILES notation for 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide?
The canonical SMILES for 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide is Br.CC(=O)/C=C/c1cnc2[nH]c(=O)[nH]c(=O)c2c1.NC(=O)c1cc(Br)cnc1N.Nc1ncc(Br)cc1C(=O)O.O=C(O)/C=C/c1cnc2[nH]c(=O)[nH]c(=O)c2c1.O=c1[nH]c(=O)c2cc(Br)cnc2[nH]1.
What is the InChIKey of 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide?
The InChIKey is SNZRVQUNAHVTKL-SGHKHRPESA-N. The full InChI is InChI=1S/C11H9N3O3.C10H7N3O4.C7H4BrN3O2.C6H6BrN3O.C6H5BrN2O2.BrH/c1-6(15)2-3-7-4-8-9(12-5-7)13-11(17)14-10(8)16;14-7(15)2-1-5-3-6-8(11-4-5)12-10(17)13-9(6)16;8-3-1-4-5(9-2-3)10-7(13)11-6(4)12;7-3-1-4(6(9)11)5(8)10-2-3;7-3-1-4(6(10)11)5(8)9-2-3;/h2-5H,1H3,(H2,12,13,14,16,17);1-4H,(H,14,15)(H2,11,12,13,16,17);1-2H,(H2,9,10,11,12,13);1-2H,(H2,8,10)(H2,9,11);1-2H,(H2,8,9)(H,10,11);1H/b3-2+;2-1+;;;;.
What are the key properties of 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide?
2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide has a molecular weight of 1220.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;6-bromo-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid;6-[(E)-3-oxobut-1-enyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;hydrobromide is sourced from PubChem (CID 158788001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).