4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine

C13H20N4 — CID 176675924

IUPAC4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine
SMILESCN1CCN(C/C=C/c2ccnc(N)c2)CC1
InChIInChI=1S/C13H20N4/c1-16-7-9-17(10-8-16)6-2-3-12-4-5-15-13(14)11-12/h2-5,11H,6-10H2,1H3,(H2,14,15)/b3-2+
InChIKeyGEUYBOCZXAUSPH-NSCUHMNNSA-N
MW232.33 g/mol
LogP0.92
Rot. Bonds3

About 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine

4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine (PubChem CID 176675924) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine
PubChem CID176675924
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine
SMILESCN1CCN(C/C=C/c2ccnc(N)c2)CC1
InChIInChI=1S/C13H20N4/c1-16-7-9-17(10-8-16)6-2-3-12-4-5-15-13(14)11-12/h2-5,11H,6-10H2,1H3,(H2,14,15)/b3-2+
InChIKeyGEUYBOCZXAUSPH-NSCUHMNNSA-N
XLogP0.92
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
4-[2,2-dimethylpropyl-[[4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]amino]pyrimidine-2-carbonitrile
CID 10002115
ethyl (E)-3-(2-amino-4-pyridinyl)prop-2-enoate
CID 68688040
[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888635
2-amino-N-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 56701383
2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 95188553
ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine
CID 142200369
N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
CID 30981978
1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561202
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 62889539
(E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine
CID 117335129

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine?
The IUPAC name of 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine (CID 176675924) is 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine.
What is the SMILES notation for 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine?
The canonical SMILES for 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine is CN1CCN(C/C=C/c2ccnc(N)c2)CC1.
What is the InChIKey of 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine?
The InChIKey is GEUYBOCZXAUSPH-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H20N4/c1-16-7-9-17(10-8-16)6-2-3-12-4-5-15-13(14)11-12/h2-5,11H,6-10H2,1H3,(H2,14,15)/b3-2+.
What are the key properties of 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine?
4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine is sourced from PubChem (CID 176675924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).