N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide

C11H14N6O — CID 114036094

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC(C)c2ncc[nH]2)n1
InChIInChI=1S/C11H14N6O/c1-7(10-14-3-4-15-10)16-11(18)8-5-13-6-9(12-2)17-8/h3-7H,1-2H3,(H,12,17)(H,14,15)(H,16,18)
InChIKeyBPKIIAKLELHJRT-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.73
Rot. Bonds4

About N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide

N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide (PubChem CID 114036094) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide
PubChem CID114036094
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC(C)c2ncc[nH]2)n1
InChIInChI=1S/C11H14N6O/c1-7(10-14-3-4-15-10)16-11(18)8-5-13-6-9(12-2)17-8/h3-7H,1-2H3,(H,12,17)(H,14,15)(H,16,18)
InChIKeyBPKIIAKLELHJRT-UHFFFAOYSA-N
XLogP0.73
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide
CID 114176591
6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 106283611
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 167887556
2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 107261346
3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046
2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105387534
3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 138005316
3-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzamide
CID 114020145
3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107519383
N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 97132788
N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 56708149
(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
CID 107146607

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide (CID 114036094) is N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide is CNc1cncc(C(=O)NC(C)c2ncc[nH]2)n1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide?
The InChIKey is BPKIIAKLELHJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7(10-14-3-4-15-10)16-11(18)8-5-13-6-9(12-2)17-8/h3-7H,1-2H3,(H,12,17)(H,14,15)(H,16,18).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide?
N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 114036094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).