benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate

C19H18N4O4 — CID 122162983

IUPACbenzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1nccnc1-c1ccoc1
InChIInChI=1S/C19H18N4O4/c24-17(11-23-19(25)27-12-14-4-2-1-3-5-14)22-10-16-18(21-8-7-20-16)15-6-9-26-13-15/h1-9,13H,10-12H2,(H,22,24)(H,23,25)
InChIKeyKPPBFCFFCTZUOA-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.28
Rot. Bonds7

About benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate

benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate (PubChem CID 122162983) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate
PubChem CID122162983
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Namebenzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1nccnc1-c1ccoc1
InChIInChI=1S/C19H18N4O4/c24-17(11-23-19(25)27-12-14-4-2-1-3-5-14)22-10-16-18(21-8-7-20-16)15-6-9-26-13-15/h1-9,13H,10-12H2,(H,22,24)(H,23,25)
InChIKeyKPPBFCFFCTZUOA-UHFFFAOYSA-N
XLogP2.28
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 122162973
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benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
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benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate (CID 122162983) is benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCc1nccnc1-c1ccoc1.
What is the InChIKey of benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate?
The InChIKey is KPPBFCFFCTZUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-17(11-23-19(25)27-12-14-4-2-1-3-5-14)22-10-16-18(21-8-7-20-16)15-6-9-26-13-15/h1-9,13H,10-12H2,(H,22,24)(H,23,25).
What are the key properties of benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate?
benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate has a molecular weight of 366.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 122162983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).