ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate

C17H18N4O2 — CID 15153061

IUPACethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(cn1)N=C(c1ccccc1)C(C)N2
InChIInChI=1S/C17H18N4O2/c1-3-23-17(22)21-15-9-13-14(10-18-15)20-16(11(2)19-13)12-7-5-4-6-8-12/h4-11,19H,3H2,1-2H3,(H,18,21,22)
InChIKeyKXPVODQWULWSJW-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.58
Rot. Bonds3

About ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate

ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate (PubChem CID 15153061) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
PubChem CID15153061
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Nameethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2c(cn1)N=C(c1ccccc1)C(C)N2
InChIInChI=1S/C17H18N4O2/c1-3-23-17(22)21-15-9-13-14(10-18-15)20-16(11(2)19-13)12-7-5-4-6-8-12/h4-11,19H,3H2,1-2H3,(H,18,21,22)
InChIKeyKXPVODQWULWSJW-UHFFFAOYSA-N
XLogP3.58
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The IUPAC name of ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate (CID 15153061) is ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate.
What is the SMILES notation for ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The canonical SMILES for ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate is CCOC(=O)Nc1cc2c(cn1)N=C(c1ccccc1)C(C)N2.
What is the InChIKey of ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The InChIKey is KXPVODQWULWSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-23-17(22)21-15-9-13-14(10-18-15)20-16(11(2)19-13)12-7-5-4-6-8-12/h4-11,19H,3H2,1-2H3,(H,18,21,22).
What are the key properties of ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate has a molecular weight of 310.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate is sourced from PubChem (CID 15153061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).