methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate

C9H12N4O3 — CID 108574667

IUPACmethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)c1cnccn1
InChIInChI=1S/C9H12N4O3/c1-16-9(15)13-5-4-12-8(14)7-6-10-2-3-11-7/h2-3,6H,4-5H2,1H3,(H,12,14)(H,13,15)
InChIKeySEAUDTGCPXWELM-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.44
Rot. Bonds4

About methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate

methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate (PubChem CID 108574667) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
PubChem CID108574667
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Namemethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)c1cnccn1
InChIInChI=1S/C9H12N4O3/c1-16-9(15)13-5-4-12-8(14)7-6-10-2-3-11-7/h2-3,6H,4-5H2,1H3,(H,12,14)(H,13,15)
InChIKeySEAUDTGCPXWELM-UHFFFAOYSA-N
XLogP-0.44
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574671
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate (CID 108574667) is methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate is COC(=O)NCCNC(=O)c1cnccn1.
What is the InChIKey of methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate?
The InChIKey is SEAUDTGCPXWELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-16-9(15)13-5-4-12-8(14)7-6-10-2-3-11-7/h2-3,6H,4-5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate?
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate has a molecular weight of 224.22 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 108574667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).