6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide

C9H8ClN5O — CID 106551379

IUPAC6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1cncc(Cl)n1
InChIInChI=1S/C9H8ClN5O/c10-8-4-11-3-7(15-8)9(16)13-2-6-1-12-5-14-6/h1,3-5H,2H2,(H,12,14)(H,13,16)
InChIKeyZIKLCXQDEOACGM-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.78
Rot. Bonds3

About 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide

6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide (PubChem CID 106551379) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide
PubChem CID106551379
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1cncc(Cl)n1
InChIInChI=1S/C9H8ClN5O/c10-8-4-11-3-7(15-8)9(16)13-2-6-1-12-5-14-6/h1,3-5H,2H2,(H,12,14)(H,13,16)
InChIKeyZIKLCXQDEOACGM-UHFFFAOYSA-N
XLogP0.78
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 103725235
3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide
CID 80641974
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169
N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79883820
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 106551470
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109
5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 114923933

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide (CID 106551379) is 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1cnc[nH]1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is ZIKLCXQDEOACGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-8-4-11-3-7(15-8)9(16)13-2-6-1-12-5-14-6/h1,3-5H,2H2,(H,12,14)(H,13,16).
What are the key properties of 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide?
6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 237.65 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).