4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride

C17H19ClN6 — CID 177366109

IUPAC4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride
SMILESCl.c1cc(NC2CNC2)cc(NCc2ccc3nccnc3c2)n1
InChIInChI=1S/C17H18N6.ClH/c1-2-15-16(20-6-5-19-15)7-12(1)9-22-17-8-13(3-4-21-17)23-14-10-18-11-14;/h1-8,14,18H,9-11H2,(H2,21,22,23);1H
InChIKeyAAYQSPGFRPVBPT-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.44
Rot. Bonds5

About 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride

4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride (PubChem CID 177366109) has the molecular formula C17H19ClN6 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride
PubChem CID177366109
Molecular FormulaC17H19ClN6
Molecular Weight342.83 g/mol
Exact Mass342.14
IUPAC Name4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride
SMILESCl.c1cc(NC2CNC2)cc(NCc2ccc3nccnc3c2)n1
InChIInChI=1S/C17H18N6.ClH/c1-2-15-16(20-6-5-19-15)7-12(1)9-22-17-8-13(3-4-21-17)23-14-10-18-11-14;/h1-8,14,18H,9-11H2,(H2,21,22,23);1H
InChIKeyAAYQSPGFRPVBPT-UHFFFAOYSA-N
XLogP2.44
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
CID 177366069
6-(azetidin-3-yl)quinoxaline;hydrochloride
CID 154791366
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937135
2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937037
4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176691496
5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one
CID 58935844
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936819
N-(azetidin-3-yl)pyridin-4-amine;ethane
CID 144986500
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
CID 110672196
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115264106

Frequently Asked Questions

What is the IUPAC name of 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride?
The IUPAC name of 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride (CID 177366109) is 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride is Cl.c1cc(NC2CNC2)cc(NCc2ccc3nccnc3c2)n1.
What is the InChIKey of 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride?
The InChIKey is AAYQSPGFRPVBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6.ClH/c1-2-15-16(20-6-5-19-15)7-12(1)9-22-17-8-13(3-4-21-17)23-14-10-18-11-14;/h1-8,14,18H,9-11H2,(H2,21,22,23);1H.
What are the key properties of 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride?
4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride is sourced from PubChem (CID 177366109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).