N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide

C13H16N4OS — CID 107375938

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NCc2cc(C)c(C)s2)cn1
InChIInChI=1S/C13H16N4OS/c1-8-4-10(19-9(8)2)5-17-13(18)11-6-16-12(14-3)7-15-11/h4,6-7H,5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyLXCUSJLSJMXDJQ-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.13
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107375938) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107375938
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NCc2cc(C)c(C)s2)cn1
InChIInChI=1S/C13H16N4OS/c1-8-4-10(19-9(8)2)5-17-13(18)11-6-16-12(14-3)7-15-11/h4,6-7H,5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyLXCUSJLSJMXDJQ-UHFFFAOYSA-N
XLogP2.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 107257832
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641591
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 65241812
5-(methylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107375550
5-(methylamino)-N-(pyridazin-3-ylmethyl)pyrazine-2-carboxamide
CID 107377345
2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114918600
N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374531
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 65244137
5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide
CID 114175973
5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 107375122
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66290029
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 113255745

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide (CID 107375938) is N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)NCc2cc(C)c(C)s2)cn1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is LXCUSJLSJMXDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-4-10(19-9(8)2)5-17-13(18)11-6-16-12(14-3)7-15-11/h4,6-7H,5H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).