2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone

C21H18N6O — CID 58448444

IUPAC2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone
SMILESNc1ncccc1NCc1cc(CC(=O)c2cnc3ccccc3n2)ccn1
InChIInChI=1S/C21H18N6O/c22-21-18(6-3-8-24-21)25-12-15-10-14(7-9-23-15)11-20(28)19-13-26-16-4-1-2-5-17(16)27-19/h1-10,13,25H,11-12H2,(H2,22,24)
InChIKeyWFKRETQXLPYZDL-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.04
Rot. Bonds6

About 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone

2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone (PubChem CID 58448444) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone.

Molecular Properties

Compound Name2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone
PubChem CID58448444
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone
SMILESNc1ncccc1NCc1cc(CC(=O)c2cnc3ccccc3n2)ccn1
InChIInChI=1S/C21H18N6O/c22-21-18(6-3-8-24-21)25-12-15-10-14(7-9-23-15)11-20(28)19-13-26-16-4-1-2-5-17(16)27-19/h1-10,13,25H,11-12H2,(H2,22,24)
InChIKeyWFKRETQXLPYZDL-UHFFFAOYSA-N
XLogP3.04
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone
CID 58448620
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
CID 58448836
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylfuran-2-yl)ethanone
CID 58448491
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(2-isocyanoimidazo[1,2-a]pyrazin-6-yl)ethanone
CID 58449119
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-quinolin-2-ylethanone
CID 58449174
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(3-isocyano-1-methylpyrazol-5-yl)ethanone
CID 58448818
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-[5-(1H-pyrrol-2-yl)pyrazin-2-yl]ethanone
CID 58448510
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-chloropyridine-2-carboxamide
CID 70233906
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(5-methylsulfanylpyrazin-2-yl)ethanone
CID 58449335
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
CID 58448651
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-[5-(propan-2-ylideneamino)oxypyrazin-2-yl]ethanone
CID 58448942
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone
CID 58449100

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone?
The IUPAC name of 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone (CID 58448444) is 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone.
What is the SMILES notation for 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone?
The canonical SMILES for 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone is Nc1ncccc1NCc1cc(CC(=O)c2cnc3ccccc3n2)ccn1.
What is the InChIKey of 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone?
The InChIKey is WFKRETQXLPYZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c22-21-18(6-3-8-24-21)25-12-15-10-14(7-9-23-15)11-20(28)19-13-26-16-4-1-2-5-17(16)27-19/h1-10,13,25H,11-12H2,(H2,22,24).
What are the key properties of 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone?
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone has a molecular weight of 370.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone is sourced from PubChem (CID 58448444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).