ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

C18H21N5O3 — CID 15105325

IUPACethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)N=C(COc1ccccc1)C(C)N2
InChIInChI=1S/C18H21N5O3/c1-3-25-18(24)23-15-9-13-16(17(19)22-15)21-14(11(2)20-13)10-26-12-7-5-4-6-8-12/h4-9,11,20H,3,10H2,1-2H3,(H3,19,22,23,24)
InChIKeyQXDMAKQNLXKJQD-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.20
Rot. Bonds5

About ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (PubChem CID 15105325) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
PubChem CID15105325
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Nameethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)N=C(COc1ccccc1)C(C)N2
InChIInChI=1S/C18H21N5O3/c1-3-25-18(24)23-15-9-13-16(17(19)22-15)21-14(11(2)20-13)10-26-12-7-5-4-6-8-12/h4-9,11,20H,3,10H2,1-2H3,(H3,19,22,23,24)
InChIKeyQXDMAKQNLXKJQD-UHFFFAOYSA-N
XLogP3.20
TPSA110.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The IUPAC name of ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (CID 15105325) is ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.
What is the SMILES notation for ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The canonical SMILES for ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is CCOC(=O)Nc1cc2c(c(N)n1)N=C(COc1ccccc1)C(C)N2.
What is the InChIKey of ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The InChIKey is QXDMAKQNLXKJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-25-18(24)23-15-9-13-16(17(19)22-15)21-14(11(2)20-13)10-26-12-7-5-4-6-8-12/h4-9,11,20H,3,10H2,1-2H3,(H3,19,22,23,24).
What are the key properties of ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate has a molecular weight of 355.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is sourced from PubChem (CID 15105325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).