N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide

C17H17N5O2 — CID 90651517

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C17H17N5O2/c1-21(17(24)14-9-20-16(23)10-19-14)12-15-18-7-8-22(15)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyGCFYIQQVMZDSCM-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.29
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 90651517) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID90651517
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C17H17N5O2/c1-21(17(24)14-9-20-16(23)10-19-14)12-15-18-7-8-22(15)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,23)
InChIKeyGCFYIQQVMZDSCM-UHFFFAOYSA-N
XLogP1.29
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
CID 131901666
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
CID 77083818
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122566922
N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72938444
5-[(3R)-3-(1-benzylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 96579681
(1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201282
N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172657218
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide (CID 90651517) is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide is CN(Cc1nccn1Cc1ccccc1)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is GCFYIQQVMZDSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21(17(24)14-9-20-16(23)10-19-14)12-15-18-7-8-22(15)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,23).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 90651517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).