N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide

C13H16N4O — CID 110794826

IUPACN-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cc(CNC(=O)c2cnccn2)c(C)n1C
InChIInChI=1S/C13H16N4O/c1-9-6-11(10(2)17(9)3)7-16-13(18)12-8-14-4-5-15-12/h4-6,8H,7H2,1-3H3,(H,16,18)
InChIKeyNZNABQXYQQNFBK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.36
Rot. Bonds3

About N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide

N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 110794826) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID110794826
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cc(CNC(=O)c2cnccn2)c(C)n1C
InChIInChI=1S/C13H16N4O/c1-9-6-11(10(2)17(9)3)7-16-13(18)12-8-14-4-5-15-12/h4-6,8H,7H2,1-3H3,(H,16,18)
InChIKeyNZNABQXYQQNFBK-UHFFFAOYSA-N
XLogP1.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163
N-[(2,5-dimethylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 56765538
N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794096
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 110794198
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 110746419
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide
CID 122253972
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 43040329
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489

Frequently Asked Questions

What is the IUPAC name of N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide (CID 110794826) is N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide is Cc1cc(CNC(=O)c2cnccn2)c(C)n1C.
What is the InChIKey of N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is NZNABQXYQQNFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-11(10(2)17(9)3)7-16-13(18)12-8-14-4-5-15-12/h4-6,8H,7H2,1-3H3,(H,16,18).
What are the key properties of N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide?
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110794826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).