6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide

C16H20N4O3 — CID 133358420

IUPAC6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide
SMILESCOc1cc(C)c(CN(C)c2cncc(C(N)=O)n2)cc1OC
InChIInChI=1S/C16H20N4O3/c1-10-5-13(22-3)14(23-4)6-11(10)9-20(2)15-8-18-7-12(19-15)16(17)21/h5-8H,9H2,1-4H3,(H2,17,21)
InChIKeyTWNLRFKBVJBXHX-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.54
Rot. Bonds6

About 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide

6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide (PubChem CID 133358420) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide
PubChem CID133358420
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide
SMILESCOc1cc(C)c(CN(C)c2cncc(C(N)=O)n2)cc1OC
InChIInChI=1S/C16H20N4O3/c1-10-5-13(22-3)14(23-4)6-11(10)9-20(2)15-8-18-7-12(19-15)16(17)21/h5-8H,9H2,1-4H3,(H2,17,21)
InChIKeyTWNLRFKBVJBXHX-UHFFFAOYSA-N
XLogP1.54
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-ethoxyethyl(methyl)amino]pyrazine-2-carboxamide
CID 133445878
6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide
CID 133424962
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690573
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 54940770
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 86849592
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 38009809
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
2-(4,5-dimethoxy-2-methylphenyl)acetyl chloride
CID 91113458
6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid
CID 66457051
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide (CID 133358420) is 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide is COc1cc(C)c(CN(C)c2cncc(C(N)=O)n2)cc1OC.
What is the InChIKey of 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide?
The InChIKey is TWNLRFKBVJBXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-5-13(22-3)14(23-4)6-11(10)9-20(2)15-8-18-7-12(19-15)16(17)21/h5-8H,9H2,1-4H3,(H2,17,21).
What are the key properties of 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide?
6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 133358420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).