N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide

C12H16N6O — CID 107375575

IUPACN-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)N(C)Cc2nccn2C)cn1
InChIInChI=1S/C12H16N6O/c1-13-10-7-15-9(6-16-10)12(19)18(3)8-11-14-4-5-17(11)2/h4-7H,8H2,1-3H3,(H,13,16)
InChIKeyUFZIRFDSPWSKEK-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.52
Rot. Bonds4

About N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide

N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 107375575) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID107375575
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)N(C)Cc2nccn2C)cn1
InChIInChI=1S/C12H16N6O/c1-13-10-7-15-9(6-16-10)12(19)18(3)8-11-14-4-5-17(11)2/h4-7H,8H2,1-3H3,(H,13,16)
InChIKeyUFZIRFDSPWSKEK-UHFFFAOYSA-N
XLogP0.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81241836
5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63718606
5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63020903
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63021060
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375530
N-methyl-5-(methylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107376172
3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 60778085
(Z)-2,3-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 63270410

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide (CID 107375575) is N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide is CNc1cnc(C(=O)N(C)Cc2nccn2C)cn1.
What is the InChIKey of N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is UFZIRFDSPWSKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-13-10-7-15-9(6-16-10)12(19)18(3)8-11-14-4-5-17(11)2/h4-7H,8H2,1-3H3,(H,13,16).
What are the key properties of N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide?
N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107375575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).