[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine

C13H19ClN4 — CID 62284685

IUPAC[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1nc(N2CCN(C3CC3)CC2)ccc1Cl
InChIInChI=1S/C13H19ClN4/c14-11-3-4-13(16-12(11)9-15)18-7-5-17(6-8-18)10-1-2-10/h3-4,10H,1-2,5-9,15H2
InChIKeyQEFDIIJKKLUPSH-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.48
Rot. Bonds3

About [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine

[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine (PubChem CID 62284685) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine
PubChem CID62284685
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1nc(N2CCN(C3CC3)CC2)ccc1Cl
InChIInChI=1S/C13H19ClN4/c14-11-3-4-13(16-12(11)9-15)18-7-5-17(6-8-18)10-1-2-10/h3-4,10H,1-2,5-9,15H2
InChIKeyQEFDIIJKKLUPSH-UHFFFAOYSA-N
XLogP1.48
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine (CID 62284685) is [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine is NCc1nc(N2CCN(C3CC3)CC2)ccc1Cl.
What is the InChIKey of [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is QEFDIIJKKLUPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-11-3-4-13(16-12(11)9-15)18-7-5-17(6-8-18)10-1-2-10/h3-4,10H,1-2,5-9,15H2.
What are the key properties of [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine?
[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 266.78 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62284685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).