N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide

C18H19N5O4 — CID 109285912

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cc(C)on3)cn2)cc1OC
InChIInChI=1S/C18H19N5O4/c1-11-6-16(23-27-11)22-17-10-19-13(9-20-17)18(24)21-8-12-4-5-14(25-2)15(7-12)26-3/h4-7,9-10H,8H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyZDUACKCSWFGNDP-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.46
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 109285912) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
PubChem CID109285912
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cc(C)on3)cn2)cc1OC
InChIInChI=1S/C18H19N5O4/c1-11-6-16(23-27-11)22-17-10-19-13(9-20-17)18(24)21-8-12-4-5-14(25-2)15(7-12)26-3/h4-7,9-10H,8H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyZDUACKCSWFGNDP-UHFFFAOYSA-N
XLogP2.46
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285950
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylanilino)pyrazine-2-carboxamide
CID 109285895
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285896
5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 75355483
5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
CID 109270813
N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109272532
N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109282055
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109003159
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (CID 109285912) is N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnc(Nc3cc(C)on3)cn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is ZDUACKCSWFGNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-11-6-16(23-27-11)22-17-10-19-13(9-20-17)18(24)21-8-12-4-5-14(25-2)15(7-12)26-3/h4-7,9-10H,8H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).