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

C13H16N4O2 — CID 55155475

IUPAC1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione
SMILESCn1ccn(CCNCc2cccnc2)c(=O)c1=O
InChIInChI=1S/C13H16N4O2/c1-16-7-8-17(13(19)12(16)18)6-5-15-10-11-3-2-4-14-9-11/h2-4,7-9,15H,5-6,10H2,1H3
InChIKeyPVKCGOOOSDWTIE-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.27
Rot. Bonds5

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

1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione (PubChem CID 55155475) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione
PubChem CID55155475
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione
SMILESCn1ccn(CCNCc2cccnc2)c(=O)c1=O
InChIInChI=1S/C13H16N4O2/c1-16-7-8-17(13(19)12(16)18)6-5-15-10-11-3-2-4-14-9-11/h2-4,7-9,15H,5-6,10H2,1H3
InChIKeyPVKCGOOOSDWTIE-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

1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one
CID 62563638
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28671943
2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272841
3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione
CID 65297533
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
1-[2-(pyridin-3-ylmethylamino)ethyl]indole-5-carbonitrile
CID 107920082
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione (CID 55155475) is 1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione is Cn1ccn(CCNCc2cccnc2)c(=O)c1=O.
What is the InChIKey of 1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione?
The InChIKey is PVKCGOOOSDWTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-7-8-17(13(19)12(16)18)6-5-15-10-11-3-2-4-14-9-11/h2-4,7-9,15H,5-6,10H2,1H3.
What are the key properties of 1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione?
1-methyl-4-[2-(pyridin-3-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-3-ylmethylamino)ethyl]pyrazine-2,3-dione is sourced from PubChem (CID 55155475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).