methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate

C15H18N4O3 — CID 167875404

IUPACmethyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate
SMILESCCn1ccnc(Nc2ccc(CNC(=O)OC)cc2)c1=O
InChIInChI=1S/C15H18N4O3/c1-3-19-9-8-16-13(14(19)20)18-12-6-4-11(5-7-12)10-17-15(21)22-2/h4-9H,3,10H2,1-2H3,(H,16,18)(H,17,21)
InChIKeyYDBKBYBQEKBBET-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.86
Rot. Bonds5

About methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate

methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate (PubChem CID 167875404) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate
PubChem CID167875404
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Namemethyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate
SMILESCCn1ccnc(Nc2ccc(CNC(=O)OC)cc2)c1=O
InChIInChI=1S/C15H18N4O3/c1-3-19-9-8-16-13(14(19)20)18-12-6-4-11(5-7-12)10-17-15(21)22-2/h4-9H,3,10H2,1-2H3,(H,16,18)(H,17,21)
InChIKeyYDBKBYBQEKBBET-UHFFFAOYSA-N
XLogP1.86
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-aminoanilino)-1-ethylpyrazin-2-one
CID 62939816
3-(4-tert-butylanilino)-1-ethylpyrazin-2-one
CID 133446905
4-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-fluorobenzoic acid
CID 107793302
3-(3,4-dimethylanilino)-1-ethylpyrazin-2-one
CID 133446969
1-ethyl-3-(3-ethyl-4-methylanilino)pyrazin-2-one
CID 133440153
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
CID 62929849
1-ethyl-3-[(6-methoxy-3-pyridinyl)methylamino]pyrazin-2-one
CID 55140337
N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide
CID 133424247
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
CID 62996104
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid
CID 81078505

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate (CID 167875404) is methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate is CCn1ccnc(Nc2ccc(CNC(=O)OC)cc2)c1=O.
What is the InChIKey of methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate?
The InChIKey is YDBKBYBQEKBBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-19-9-8-16-13(14(19)20)18-12-6-4-11(5-7-12)10-17-15(21)22-2/h4-9H,3,10H2,1-2H3,(H,16,18)(H,17,21).
What are the key properties of methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate?
methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate has a molecular weight of 302.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 167875404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).