propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

C18H23N5O2 — CID 142848653

IUPACpropyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESCCCOC(=O)Nc1cc2c(c(N)n1)N=C(C1=CC=CCC1C)CN2
InChIInChI=1S/C18H23N5O2/c1-3-8-25-18(24)23-15-9-13-16(17(19)22-15)21-14(10-20-13)12-7-5-4-6-11(12)2/h4-5,7,9,11,20H,3,6,8,10H2,1-2H3,(H3,19,22,23,24)
InChIKeyCPOMHGXGJSOCHJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.64
Rot. Bonds4

About propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (PubChem CID 142848653) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.

Molecular Properties

Compound Namepropyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
PubChem CID142848653
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Namepropyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESCCCOC(=O)Nc1cc2c(c(N)n1)N=C(C1=CC=CCC1C)CN2
InChIInChI=1S/C18H23N5O2/c1-3-8-25-18(24)23-15-9-13-16(17(19)22-15)21-14(10-20-13)12-7-5-4-6-11(12)2/h4-5,7,9,11,20H,3,6,8,10H2,1-2H3,(H3,19,22,23,24)
InChIKeyCPOMHGXGJSOCHJ-UHFFFAOYSA-N
XLogP3.64
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

acetylene;ethyl N-[5-amino-3-[4-(butylcarbamoyloxy)phenyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 142848699
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-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane
CID 158958595
ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 10087756
ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 91261655
ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate
CID 70444567
ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate
CID 69182791
propyl N-(2H-benzotriazol-5-yl)carbamate
CID 135188444
propyl N-(3-bromophenyl)carbamate
CID 19165876
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 46829310
propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The IUPAC name of propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (CID 142848653) is propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.
What is the SMILES notation for propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The canonical SMILES for propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is CCCOC(=O)Nc1cc2c(c(N)n1)N=C(C1=CC=CCC1C)CN2.
What is the InChIKey of propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The InChIKey is CPOMHGXGJSOCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-8-25-18(24)23-15-9-13-16(17(19)22-15)21-14(10-20-13)12-7-5-4-6-11(12)2/h4-5,7,9,11,20H,3,6,8,10H2,1-2H3,(H3,19,22,23,24).
What are the key properties of propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate has a molecular weight of 341.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is sourced from PubChem (CID 142848653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).