1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione

C13H16N4O2 — CID 62927880

IUPAC1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione
SMILESCn1ccn(CCNCc2ccccn2)c(=O)c1=O
InChIInChI=1S/C13H16N4O2/c1-16-8-9-17(13(19)12(16)18)7-6-14-10-11-4-2-3-5-15-11/h2-5,8-9,14H,6-7,10H2,1H3
InChIKeyJNDLVUTVZPEQHZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.27
Rot. Bonds5

About 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione

1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione (PubChem CID 62927880) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione
PubChem CID62927880
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione
SMILESCn1ccn(CCNCc2ccccn2)c(=O)c1=O
InChIInChI=1S/C13H16N4O2/c1-16-8-9-17(13(19)12(16)18)7-6-14-10-11-4-2-3-5-15-11/h2-5,8-9,14H,6-7,10H2,1H3
InChIKeyJNDLVUTVZPEQHZ-UHFFFAOYSA-N
XLogP-0.27
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62567738
1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
CID 62564407
1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione
CID 55155475
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 55024068
N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 2996982
2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
CID 115632570
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62564103
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
3-pyridin-2-yl-2-[4-[1-[2-(pyridin-2-ylmethylamino)ethyl]imidazol-2-yl]phenyl]quinazolin-4-one
CID 10458615
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione (CID 62927880) is 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione is Cn1ccn(CCNCc2ccccn2)c(=O)c1=O.
What is the InChIKey of 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione?
The InChIKey is JNDLVUTVZPEQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-8-9-17(13(19)12(16)18)7-6-14-10-11-4-2-3-5-15-11/h2-5,8-9,14H,6-7,10H2,1H3.
What are the key properties of 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione?
1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione has a molecular weight of 260.30 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione is sourced from PubChem (CID 62927880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).