5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate

C23H34BrN5O2 — CID 157053539

IUPAC5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate
SMILESCc1cc(/C=C/CC(C)N(C)C(=O)OC(C)(C)C)cnc1N.Cc1cc(Br)cnc1N
InChIInChI=1S/C17H27N3O2.C6H7BrN2/c1-12-10-14(11-19-15(12)18)9-7-8-13(2)20(6)16(21)22-17(3,4)5;1-4-2-5(7)3-9-6(4)8/h7,9-11,13H,8H2,1-6H3,(H2,18,19);2-3H,1H3,(H2,8,9)/b9-7+;
InChIKeyAAMGMYUVVNVZKU-BXTVWIJMSA-N
MW492.46 g/mol
LogP5.37
Rot. Bonds4

About 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate

5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate (PubChem CID 157053539) has the molecular formula C23H34BrN5O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Name5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate
PubChem CID157053539
Molecular FormulaC23H34BrN5O2
Molecular Weight492.46 g/mol
Exact Mass491.19
IUPAC Name5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate
SMILESCc1cc(/C=C/CC(C)N(C)C(=O)OC(C)(C)C)cnc1N.Cc1cc(Br)cnc1N
InChIInChI=1S/C17H27N3O2.C6H7BrN2/c1-12-10-14(11-19-15(12)18)9-7-8-13(2)20(6)16(21)22-17(3,4)5;1-4-2-5(7)3-9-6(4)8/h7,9-11,13H,8H2,1-6H3,(H2,18,19);2-3H,1H3,(H2,8,9)/b9-7+;
InChIKeyAAMGMYUVVNVZKU-BXTVWIJMSA-N
XLogP5.37
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Boc-1-(5-bromo-2-pyridyl)piperazine
CID 11244775
tert-butyl 4-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperazine-1-carboxylate
CID 132190689
tert-Butyl (3-bromo-5-methylpyridin-2-yl)carbamate
CID 70701046
(2R)-4-(5-Bromo-3-trifluoromethyl-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
CID 11575439
(5-Bromo-6-fluoro-pyridin-2-yl)-(5-fluoro-pyridin-3-ylmethyl)-carbamic acid tert-butyl ester
CID 57619177
tert-butyl N-(5-bromo-6-fluoro-2-pyridinyl)-N-[(2-methyl-4-pyridinyl)methyl]carbamate
CID 57963066
tert-butyl N-(5-bromo-6-fluoropyridin-2-yl)-N-[[4-(trifluoromethyl)pyridin-3-yl]methyl]carbamate
CID 57963096
tert-butyl N-(5-bromo-6-fluoro-2-pyridinyl)-N-[(2-cyano-4-pyridinyl)methyl]carbamate
CID 57963136
tert-butyl N-(5-bromo-6-fluoropyridin-2-yl)-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]carbamate
CID 58259175
tert-butyl N-(5-bromo-6-fluoro-2-pyridinyl)-N-[(4-methyl-3-pyridinyl)methyl]carbamate
CID 58259243
tert-butyl N-[5-bromo-3-(trifluoromethyl)pyridin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 66677443
4-(5-Bromo-3-trifluoromethyl-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 67399955

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate?
The IUPAC name of 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate (CID 157053539) is 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate.
What is the SMILES notation for 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate?
The canonical SMILES for 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate is Cc1cc(/C=C/CC(C)N(C)C(=O)OC(C)(C)C)cnc1N.Cc1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate?
The InChIKey is AAMGMYUVVNVZKU-BXTVWIJMSA-N. The full InChI is InChI=1S/C17H27N3O2.C6H7BrN2/c1-12-10-14(11-19-15(12)18)9-7-8-13(2)20(6)16(21)22-17(3,4)5;1-4-2-5(7)3-9-6(4)8/h7,9-11,13H,8H2,1-6H3,(H2,18,19);2-3H,1H3,(H2,8,9)/b9-7+;.
What are the key properties of 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate?
5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate has a molecular weight of 492.46 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylpyridin-2-amine;tert-butyl N-[(E)-5-(6-amino-5-methyl-3-pyridinyl)pent-4-en-2-yl]-N-methylcarbamate is sourced from PubChem (CID 157053539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).