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

C34H41Br4N9O7 — CID 157373417

IUPAC6-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
SMILESCC(C)(C)OC(=O)c1cnc(N)c(Br)c1.CCCN(C)C(=O)c1cnc(N)c(Br)c1.CCOC(=O)c1cnc(N)c(Br)c1.Nc1ncc(C(=O)O)cc1Br
InChIInChI=1S/C10H14BrN3O.C10H13BrN2O2.C8H9BrN2O2.C6H5BrN2O2/c1-3-4-14(2)10(15)7-5-8(11)9(12)13-6-7;1-10(2,3)15-9(14)6-4-7(11)8(12)13-5-6;1-2-13-8(12)5-3-6(9)7(10)11-4-5;7-4-1-3(6(10)11)2-9-5(4)8/h5-6H,3-4H2,1-2H3,(H2,12,13);4-5H,1-3H3,(H2,12,13);3-4H,2H2,1H3,(H2,10,11);1-2H,(H2,8,9)(H,10,11)
InChIKeyBKAMJHVRDQNORD-UHFFFAOYSA-N
MW1007.37 g/mol
LogP7.02
Rot. Bonds7

About 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

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 (PubChem CID 157373417) has the molecular formula C34H41Br4N9O7 and a molecular weight of 1007.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID157373417
Molecular FormulaC34H41Br4N9O7
Molecular Weight1007.37 g/mol
Exact Mass1002.99
IUPAC Name6-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
SMILESCC(C)(C)OC(=O)c1cnc(N)c(Br)c1.CCCN(C)C(=O)c1cnc(N)c(Br)c1.CCOC(=O)c1cnc(N)c(Br)c1.Nc1ncc(C(=O)O)cc1Br
InChIInChI=1S/C10H14BrN3O.C10H13BrN2O2.C8H9BrN2O2.C6H5BrN2O2/c1-3-4-14(2)10(15)7-5-8(11)9(12)13-6-7;1-10(2,3)15-9(14)6-4-7(11)8(12)13-5-6;1-2-13-8(12)5-3-6(9)7(10)11-4-5;7-4-1-3(6(10)11)2-9-5(4)8/h5-6H,3-4H2,1-2H3,(H2,12,13);4-5H,1-3H3,(H2,12,13);3-4H,2H2,1H3,(H2,10,11);1-2H,(H2,8,9)(H,10,11)
InChIKeyBKAMJHVRDQNORD-UHFFFAOYSA-N
XLogP7.02
TPSA265.85 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.37
LogP ≤ 57.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-Amino-5-bromopyridine-3-carboxylic acid;methyl 6-amino-5-bromopyridine-3-carboxylate
CID 70058139
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
2-(2-Amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate
CID 157272604
Sodium;6-aminopyridine-3-carboxylic acid;(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;ethyl 6-aminopyridine-3-carboxylate;hydroxide
CID 157311485
lithium;alumane;tert-butyl N-[5-(bromomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-(hydroxymethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]carbamate;ethyl 6-aminopyridine-3-carboxylate;ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate;hydride;1-methylpiperazine;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 157569701
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
Methyl 6-amino-5-bromopyridine-3-carboxylate;methyl 6-amino-5-(4-hydroxy-4-methylpent-1-ynyl)pyridine-3-carboxylate;2-methylpent-4-yn-2-ol
CID 158116322
2-amino-5-bromopyridine-3-carboxylic acid;2-amino-5-[(E)-3-methoxy-3-oxoprop-1-enyl]pyridine-3-carboxylic acid;methyl prop-2-enoate;hydroiodide
CID 158484071
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
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
5-Bromo-2-(ethylamino)pyridine-3-carboxylic acid;ethyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 159099840

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)c1cnc(N)c(Br)c1.CCCN(C)C(=O)c1cnc(N)c(Br)c1.CCOC(=O)c1cnc(N)c(Br)c1.Nc1ncc(C(=O)O)cc1Br.
What is the InChIKey of 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?
The InChIKey is BKAMJHVRDQNORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O.C10H13BrN2O2.C8H9BrN2O2.C6H5BrN2O2/c1-3-4-14(2)10(15)7-5-8(11)9(12)13-6-7;1-10(2,3)15-9(14)6-4-7(11)8(12)13-5-6;1-2-13-8(12)5-3-6(9)7(10)11-4-5;7-4-1-3(6(10)11)2-9-5(4)8/h5-6H,3-4H2,1-2H3,(H2,12,13);4-5H,1-3H3,(H2,12,13);3-4H,2H2,1H3,(H2,10,11);1-2H,(H2,8,9)(H,10,11).
What are the key properties of 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?
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 has a molecular weight of 1007.37 g/mol, XLogP of 7.02, 7 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157373417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).