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

C10H13ClN4O3 — CID 108574671

IUPAC2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
SMILESO=C(NCCNC(=O)c1cnccn1)OCCCl
InChIInChI=1S/C10H13ClN4O3/c11-1-6-18-10(17)15-5-4-14-9(16)8-7-12-2-3-13-8/h2-3,7H,1,4-6H2,(H,14,16)(H,15,17)
InChIKeyZIEBKXXUMHSVKQ-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.17
Rot. Bonds6

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

2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate (PubChem CID 108574671) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate.

Molecular Properties

Compound Name2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
PubChem CID108574671
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
SMILESO=C(NCCNC(=O)c1cnccn1)OCCCl
InChIInChI=1S/C10H13ClN4O3/c11-1-6-18-10(17)15-5-4-14-9(16)8-7-12-2-3-13-8/h2-3,7H,1,4-6H2,(H,14,16)(H,15,17)
InChIKeyZIEBKXXUMHSVKQ-UHFFFAOYSA-N
XLogP0.17
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid
CID 67328816
N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide
CID 22006886
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571703
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate?
The IUPAC name of 2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate (CID 108574671) is 2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate.
What is the SMILES notation for 2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate?
The canonical SMILES for 2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate is O=C(NCCNC(=O)c1cnccn1)OCCCl.
What is the InChIKey of 2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate?
The InChIKey is ZIEBKXXUMHSVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c11-1-6-18-10(17)15-5-4-14-9(16)8-7-12-2-3-13-8/h2-3,7H,1,4-6H2,(H,14,16)(H,15,17).
What are the key properties of 2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate?
2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate has a molecular weight of 272.69 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 108574671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).