N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate

C18H21N6O2- — CID 71432124

IUPACN-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate
SMILESCCN(C(=O)[O-])c1cc2c(c(N)n1)N=C(CN(C)c1ccccc1)CN2
InChIInChI=1S/C18H22N6O2/c1-3-24(18(25)26)15-9-14-16(17(19)22-15)21-12(10-20-14)11-23(2)13-7-5-4-6-8-13/h4-9,20H,3,10-11H2,1-2H3,(H2,19,22)(H,25,26)/p-1
InChIKeyBVRCAXSNXGDYJL-UHFFFAOYSA-M
MW353.41 g/mol
LogP1.47
Rot. Bonds5

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

N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate (PubChem CID 71432124) has the molecular formula C18H21N6O2- and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate.

Molecular Properties

Compound NameN-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate
PubChem CID71432124
Molecular FormulaC18H21N6O2-
Molecular Weight353.41 g/mol
Exact Mass353.17
IUPAC NameN-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate
SMILESCCN(C(=O)[O-])c1cc2c(c(N)n1)N=C(CN(C)c1ccccc1)CN2
InChIInChI=1S/C18H22N6O2/c1-3-24(18(25)26)15-9-14-16(17(19)22-15)21-12(10-20-14)11-23(2)13-7-5-4-6-8-13/h4-9,20H,3,10-11H2,1-2H3,(H2,19,22)(H,25,26)/p-1
InChIKeyBVRCAXSNXGDYJL-UHFFFAOYSA-M
XLogP1.47
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
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[2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
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1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
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4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
CID 3112957
5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
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2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
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4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43642182
N-ethyl-N-phenyl-1H-indole-2-carboxamide
CID 43398536
4-amino-5-cyclopropyl-N-ethyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 62077121
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667777

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate?
The IUPAC name of N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate (CID 71432124) is N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate.
What is the SMILES notation for N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate?
The canonical SMILES for N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate is CCN(C(=O)[O-])c1cc2c(c(N)n1)N=C(CN(C)c1ccccc1)CN2.
What is the InChIKey of N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate?
The InChIKey is BVRCAXSNXGDYJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H22N6O2/c1-3-24(18(25)26)15-9-14-16(17(19)22-15)21-12(10-20-14)11-23(2)13-7-5-4-6-8-13/h4-9,20H,3,10-11H2,1-2H3,(H2,19,22)(H,25,26)/p-1.
What are the key properties of N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate?
N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate has a molecular weight of 353.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-3-[(N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-N-ethylcarbamate is sourced from PubChem (CID 71432124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).