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

C19H25N5O2 — CID 158958595

IUPACethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane
SMILESC.CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(CC)N2
InChIInChI=1S/C18H21N5O2.CH4/c1-3-12-15(11-8-6-5-7-9-11)23-16-13(20-12)10-14(21-17(16)19)22-18(24)25-4-2;/h5-10,12,20H,3-4H2,1-2H3,(H3,19,21,22,24);1H4
InChIKeyJMIFNYUMHAYCHN-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.19
Rot. Bonds4

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

ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane (PubChem CID 158958595) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane.

Molecular Properties

Compound Nameethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane
PubChem CID158958595
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Nameethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane
SMILESC.CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(CC)N2
InChIInChI=1S/C18H21N5O2.CH4/c1-3-12-15(11-8-6-5-7-9-11)23-16-13(20-12)10-14(21-17(16)19)22-18(24)25-4-2;/h5-10,12,20H,3-4H2,1-2H3,(H3,19,21,22,24);1H4
InChIKeyJMIFNYUMHAYCHN-UHFFFAOYSA-N
XLogP4.19
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 10087756
2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 6711493
ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate
CID 69182791
acetylene;ethyl N-[5-amino-3-[4-(butylcarbamoyloxy)phenyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 142848699
ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 91261655
ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 46829310
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 142848653
benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 91494646
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
CID 110179116

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane?
The IUPAC name of ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane (CID 158958595) is ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane.
What is the SMILES notation for ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane?
The canonical SMILES for ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane is C.CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(CC)N2.
What is the InChIKey of ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane?
The InChIKey is JMIFNYUMHAYCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.CH4/c1-3-12-15(11-8-6-5-7-9-11)23-16-13(20-12)10-14(21-17(16)19)22-18(24)25-4-2;/h5-10,12,20H,3-4H2,1-2H3,(H3,19,21,22,24);1H4.
What are the key properties of ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane?
ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane has a molecular weight of 355.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane is sourced from PubChem (CID 158958595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).