tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate

C18H18N4O4 — CID 46900574

IUPACtert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1
InChIInChI=1S/C18H18N4O4/c1-18(2,3)26-17(24)21-11-4-6-12(7-5-11)25-13-8-9-19-16-15(13)20-10-14(23)22-16/h4-10H,1-3H3,(H,21,24)(H,19,22,23)
InChIKeySKPDKCQZPXDJJC-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.46
Rot. Bonds3

About tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate

tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate (PubChem CID 46900574) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
PubChem CID46900574
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Nametert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1
InChIInChI=1S/C18H18N4O4/c1-18(2,3)26-17(24)21-11-4-6-12(7-5-11)25-13-8-9-19-16-15(13)20-10-14(23)22-16/h4-10H,1-3H3,(H,21,24)(H,19,22,23)
InChIKeySKPDKCQZPXDJJC-UHFFFAOYSA-N
XLogP3.46
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
CID 59588862
tert-butyl 2-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]acetate
CID 147706697
ethane;N-methylacetamide;8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one
CID 91379636
ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 59151348
tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
CID 133058698
trimethyl-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidin-2-yl]azanium
CID 58917187
tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate
CID 46900747
tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate
CID 69433893
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 140900846
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate
CID 90741671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate (CID 46900574) is tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1.
What is the InChIKey of tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
The InChIKey is SKPDKCQZPXDJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-18(2,3)26-17(24)21-11-4-6-12(7-5-11)25-13-8-9-19-16-15(13)20-10-14(23)22-16/h4-10H,1-3H3,(H,21,24)(H,19,22,23).
What are the key properties of tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate?
tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate has a molecular weight of 354.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate is sourced from PubChem (CID 46900574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).