N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide

C11H14N6O — CID 107375868

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)N(C)Cc2ncc[nH]2)cn1
InChIInChI=1S/C11H14N6O/c1-12-9-6-15-8(5-16-9)11(18)17(2)7-10-13-3-4-14-10/h3-6H,7H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyNQIRPGHPFODXRK-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.51
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107375868) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107375868
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)N(C)Cc2ncc[nH]2)cn1
InChIInChI=1S/C11H14N6O/c1-12-9-6-15-8(5-16-9)11(18)17(2)7-10-13-3-4-14-10/h3-6H,7H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyNQIRPGHPFODXRK-UHFFFAOYSA-N
XLogP0.51
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790
5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 104641533
N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 107375575
5-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 64518925
N-(1H-imidazol-2-ylmethyl)-N-methylquinoline-2-carboxamide
CID 63930575
N-methyl-5-(methylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107376172
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 64519698
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375530

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide (CID 107375868) is N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)N(C)Cc2ncc[nH]2)cn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is NQIRPGHPFODXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-12-9-6-15-8(5-16-9)11(18)17(2)7-10-13-3-4-14-10/h3-6H,7H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).