5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine

C15H22BrN3O — CID 145432315

IUPAC5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine
SMILESCC/C=C(C)\N=c1\c(N2CCOCC2)cc(Br)cn1C
InChIInChI=1S/C15H22BrN3O/c1-4-5-12(2)17-15-14(10-13(16)11-18(15)3)19-6-8-20-9-7-19/h5,10-11H,4,6-9H2,1-3H3/b12-5-,17-15-
InChIKeyPQURBCORVCVOAE-KGHCURAYSA-N
MW340.27 g/mol
LogP2.84
Rot. Bonds3

About 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine

5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine (PubChem CID 145432315) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine.

Molecular Properties

Compound Name5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine
PubChem CID145432315
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine
SMILESCC/C=C(C)\N=c1\c(N2CCOCC2)cc(Br)cn1C
InChIInChI=1S/C15H22BrN3O/c1-4-5-12(2)17-15-14(10-13(16)11-18(15)3)19-6-8-20-9-7-19/h5,10-11H,4,6-9H2,1-3H3/b12-5-,17-15-
InChIKeyPQURBCORVCVOAE-KGHCURAYSA-N
XLogP2.84
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(4-bromo-2-morpholin-4-ylphenyl)methylidenehydrazine
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(4-bromo-2-morpholin-4-ylphenyl)methanamine
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5-bromo-3-morpholin-4-yl-1-(oxan-4-yl)pyridin-2-one
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CID 143805481
1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one
CID 117480032
4-(3-bromo-5-ethylphenyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine?
The IUPAC name of 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine (CID 145432315) is 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine.
What is the SMILES notation for 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine?
The canonical SMILES for 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine is CC/C=C(C)\N=c1\c(N2CCOCC2)cc(Br)cn1C.
What is the InChIKey of 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine?
The InChIKey is PQURBCORVCVOAE-KGHCURAYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-4-5-12(2)17-15-14(10-13(16)11-18(15)3)19-6-8-20-9-7-19/h5,10-11H,4,6-9H2,1-3H3/b12-5-,17-15-.
What are the key properties of 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine?
5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine has a molecular weight of 340.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-morpholin-4-yl-N-[(Z)-pent-2-en-2-yl]pyridin-2-imine is sourced from PubChem (CID 145432315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).