N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide

C13H11N5O — CID 175533892

IUPACN-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
SMILESCn1cnc2c(NC(=O)c3cnccn3)cccc21
InChIInChI=1S/C13H11N5O/c1-18-8-16-12-9(3-2-4-11(12)18)17-13(19)10-7-14-5-6-15-10/h2-8H,1H3,(H,17,19)
InChIKeyYTBPHOZBTLCONB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.62
Rot. Bonds2

About N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide

N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide (PubChem CID 175533892) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
PubChem CID175533892
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
SMILESCn1cnc2c(NC(=O)c3cnccn3)cccc21
InChIInChI=1S/C13H11N5O/c1-18-8-16-12-9(3-2-4-11(12)18)17-13(19)10-7-14-5-6-15-10/h2-8H,1H3,(H,17,19)
InChIKeyYTBPHOZBTLCONB-UHFFFAOYSA-N
XLogP1.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide
CID 58552888
methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate
CID 58552889
N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505
N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]pyrazine-2-carboxamide
CID 71999234
N-[2-(2,3-dihydroindol-1-yl)phenyl]pyrazine-2-carboxamide
CID 38748578

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide (CID 175533892) is N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide is Cn1cnc2c(NC(=O)c3cnccn3)cccc21.
What is the InChIKey of N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide?
The InChIKey is YTBPHOZBTLCONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-18-8-16-12-9(3-2-4-11(12)18)17-13(19)10-7-14-5-6-15-10/h2-8H,1H3,(H,17,19).
What are the key properties of N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide?
N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 175533892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).