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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
CID 177366069
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936937
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
CID 168937210
2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937199
4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride
CID 177366109
4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 177366099
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937135
4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561606
sodium;hydride;4-piperazin-1-ylquinolin-7-ol
CID 173028070
4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561546
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367
sodium 4-piperazin-1-ylquinolin-7-olate
CID 141086656

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).