2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine

C15H19N5O — CID 63590796

IUPAC2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
SMILESCOc1cccc(N2CCN(c3ncccc3N)CC2)n1
InChIInChI=1S/C15H19N5O/c1-21-14-6-2-5-13(18-14)19-8-10-20(11-9-19)15-12(16)4-3-7-17-15/h2-7H,8-11,16H2,1H3
InChIKeyXBBKLEWNIUMIDL-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.39
Rot. Bonds3

About 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine

2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 63590796) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
PubChem CID63590796
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
SMILESCOc1cccc(N2CCN(c3ncccc3N)CC2)n1
InChIInChI=1S/C15H19N5O/c1-21-14-6-2-5-13(18-14)19-8-10-20(11-9-19)15-12(16)4-3-7-17-15/h2-7H,8-11,16H2,1H3
InChIKeyXBBKLEWNIUMIDL-UHFFFAOYSA-N
XLogP1.39
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine (CID 63590796) is 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine is COc1cccc(N2CCN(c3ncccc3N)CC2)n1.
What is the InChIKey of 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is XBBKLEWNIUMIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-14-6-2-5-13(18-14)19-8-10-20(11-9-19)15-12(16)4-3-7-17-15/h2-7H,8-11,16H2,1H3.
What are the key properties of 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 285.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 63590796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).