ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate

C14H16N4O2 — CID 62762350

IUPACethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cnccn2)cc1
InChIInChI=1S/C14H16N4O2/c1-2-20-14(19)18-12-5-3-11(4-6-12)17-10-13-9-15-7-8-16-13/h3-9,17H,2,10H2,1H3,(H,18,19)
InChIKeyHEENCMBDMTVECP-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.66
Rot. Bonds5

About ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate

ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate (PubChem CID 62762350) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate
PubChem CID62762350
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nameethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cnccn2)cc1
InChIInChI=1S/C14H16N4O2/c1-2-20-14(19)18-12-5-3-11(4-6-12)17-10-13-9-15-7-8-16-13/h3-9,17H,2,10H2,1H3,(H,18,19)
InChIKeyHEENCMBDMTVECP-UHFFFAOYSA-N
XLogP2.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine
CID 83962412
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
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N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
CID 62763062
4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
CID 55109980
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 107240673
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
CID 43703857
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 43703806
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate (CID 62762350) is ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate is CCOC(=O)Nc1ccc(NCc2cnccn2)cc1.
What is the InChIKey of ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate?
The InChIKey is HEENCMBDMTVECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-20-14(19)18-12-5-3-11(4-6-12)17-10-13-9-15-7-8-16-13/h3-9,17H,2,10H2,1H3,(H,18,19).
What are the key properties of ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate?
ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate has a molecular weight of 272.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 62762350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).