2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

C18H21N6P — CID 168937037

IUPAC2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESPc1nccc(N2CCNCC2)c1NCc1ccc2nccnc2c1
InChIInChI=1S/C18H21N6P/c25-18-17(16(3-4-22-18)24-9-7-19-8-10-24)23-12-13-1-2-14-15(11-13)21-6-5-20-14/h1-6,11,19,23H,7-10,12,25H2
InChIKeyFSTPADBRVYGUMX-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.55
Rot. Bonds4

About 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (PubChem CID 168937037) has the molecular formula C18H21N6P and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
PubChem CID168937037
Molecular FormulaC18H21N6P
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESPc1nccc(N2CCNCC2)c1NCc1ccc2nccnc2c1
InChIInChI=1S/C18H21N6P/c25-18-17(16(3-4-22-18)24-9-7-19-8-10-24)23-12-13-1-2-14-15(11-13)21-6-5-20-14/h1-6,11,19,23H,7-10,12,25H2
InChIKeyFSTPADBRVYGUMX-UHFFFAOYSA-N
XLogP1.55
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (CID 168937037) is 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is Pc1nccc(N2CCNCC2)c1NCc1ccc2nccnc2c1.
What is the InChIKey of 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The InChIKey is FSTPADBRVYGUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N6P/c25-18-17(16(3-4-22-18)24-9-7-19-8-10-24)23-12-13-1-2-14-15(11-13)21-6-5-20-14/h1-6,11,19,23H,7-10,12,25H2.
What are the key properties of 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine has a molecular weight of 352.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 168937037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).