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

C17H19N5O2 — CID 46829310

IUPACethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)=NC(c1ccccc1)[C@@H](C)N=2
InChIInChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,14H,3H2,1-2H3,(H2,18,20)(H,21,23)/t10-,14?/m1/s1
InChIKeyVZAXNVFHUUUXOT-IAPIXIRKSA-N
MW325.37 g/mol
LogP1.61
Rot. Bonds3

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

ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (PubChem CID 46829310) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
PubChem CID46829310
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Nameethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)=NC(c1ccccc1)[C@@H](C)N=2
InChIInChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,14H,3H2,1-2H3,(H2,18,20)(H,21,23)/t10-,14?/m1/s1
InChIKeyVZAXNVFHUUUXOT-IAPIXIRKSA-N
XLogP1.61
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate
CID 69182791
ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane
CID 158958595
ethyl N-[6-amino-4-[amino(benzhydryl)amino]-5-nitro-2-pyridinyl]carbamate
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ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
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ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 10087756
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
CID 110179116
benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 91494646
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[6-amino-4-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-5-nitro-2-pyridinyl]carbamate
CID 5270473
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The IUPAC name of ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (CID 46829310) is ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.
What is the SMILES notation for ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The canonical SMILES for ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is CCOC(=O)Nc1cc2c(c(N)n1)=NC(c1ccccc1)[C@@H](C)N=2.
What is the InChIKey of ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The InChIKey is VZAXNVFHUUUXOT-IAPIXIRKSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,14H,3H2,1-2H3,(H2,18,20)(H,21,23)/t10-,14?/m1/s1.
What are the key properties of ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate has a molecular weight of 325.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is sourced from PubChem (CID 46829310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).