4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine

C14H20N4 — CID 158447564

IUPAC4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine
SMILESCc1cc(N)nc(C#CCN2CCN(C)CC2)c1
InChIInChI=1S/C14H20N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,5-9H2,1-2H3,(H2,15,16)
InChIKeyVWGJRTCMKOXFHS-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.57
Rot. Bonds1

About 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine

4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine (PubChem CID 158447564) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine
PubChem CID158447564
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine
SMILESCc1cc(N)nc(C#CCN2CCN(C)CC2)c1
InChIInChI=1S/C14H20N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,5-9H2,1-2H3,(H2,15,16)
InChIKeyVWGJRTCMKOXFHS-UHFFFAOYSA-N
XLogP0.57
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine (CID 158447564) is 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine is Cc1cc(N)nc(C#CCN2CCN(C)CC2)c1.
What is the InChIKey of 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine?
The InChIKey is VWGJRTCMKOXFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,5-9H2,1-2H3,(H2,15,16).
What are the key properties of 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine?
4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine is sourced from PubChem (CID 158447564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).