5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine

C16H25BrN4 — CID 145432000

IUPAC5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine
SMILESCCC/C=C/N=c1/c(N2CCN(C)CC2)cc(Br)cn1C
InChIInChI=1S/C16H25BrN4/c1-4-5-6-7-18-16-15(12-14(17)13-20(16)3)21-10-8-19(2)9-11-21/h6-7,12-13H,4-5,8-11H2,1-3H3/b7-6+,18-16-
InChIKeyBEZHKNAQQQXNMT-RJBUICLDSA-N
MW353.31 g/mol
LogP2.75
Rot. Bonds4

About 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine

5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine (PubChem CID 145432000) has the molecular formula C16H25BrN4 and a molecular weight of 353.31 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine
PubChem CID145432000
Molecular FormulaC16H25BrN4
Molecular Weight353.31 g/mol
Exact Mass352.13
IUPAC Name5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine
SMILESCCC/C=C/N=c1/c(N2CCN(C)CC2)cc(Br)cn1C
InChIInChI=1S/C16H25BrN4/c1-4-5-6-7-18-16-15(12-14(17)13-20(16)3)21-10-8-19(2)9-11-21/h6-7,12-13H,4-5,8-11H2,1-3H3/b7-6+,18-16-
InChIKeyBEZHKNAQQQXNMT-RJBUICLDSA-N
XLogP2.75
TPSA23.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
CID 145432403

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine?
The IUPAC name of 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine (CID 145432000) is 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine.
What is the SMILES notation for 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine?
The canonical SMILES for 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine is CCC/C=C/N=c1/c(N2CCN(C)CC2)cc(Br)cn1C.
What is the InChIKey of 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine?
The InChIKey is BEZHKNAQQQXNMT-RJBUICLDSA-N. The full InChI is InChI=1S/C16H25BrN4/c1-4-5-6-7-18-16-15(12-14(17)13-20(16)3)21-10-8-19(2)9-11-21/h6-7,12-13H,4-5,8-11H2,1-3H3/b7-6+,18-16-.
What are the key properties of 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine?
5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine has a molecular weight of 353.31 g/mol, XLogP of 2.75, 4 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-(4-methylpiperazin-1-yl)-N-[(E)-pent-1-enyl]pyridin-2-imine is sourced from PubChem (CID 145432000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).