N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine

C15H14N4 — CID 81312291

IUPACN-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine
SMILESCc1ccc(CNc2ccc3nccnc3c2)nc1
InChIInChI=1S/C15H14N4/c1-11-2-3-13(18-9-11)10-19-12-4-5-14-15(8-12)17-7-6-16-14/h2-9,19H,10H2,1H3
InChIKeyJMZRDVZEDMOZCJ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.95
Rot. Bonds3

About N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine

N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine (PubChem CID 81312291) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine
PubChem CID81312291
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine
SMILESCc1ccc(CNc2ccc3nccnc3c2)nc1
InChIInChI=1S/C15H14N4/c1-11-2-3-13(18-9-11)10-19-12-4-5-14-15(8-12)17-7-6-16-14/h2-9,19H,10H2,1H3
InChIKeyJMZRDVZEDMOZCJ-UHFFFAOYSA-N
XLogP2.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine (CID 81312291) is N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine is Cc1ccc(CNc2ccc3nccnc3c2)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine?
The InChIKey is JMZRDVZEDMOZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-2-3-13(18-9-11)10-19-12-4-5-14-15(8-12)17-7-6-16-14/h2-9,19H,10H2,1H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine?
N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine has a molecular weight of 250.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 81312291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).