N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

C17H22N6O2 — CID 110271954

IUPACN-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cncc(C2CCCN2C(=O)c2nccn2C)n1
InChIInChI=1S/C17H22N6O2/c1-12(24)22(3)11-13-9-18-10-14(20-13)15-5-4-7-23(15)17(25)16-19-6-8-21(16)2/h6,8-10,15H,4-5,7,11H2,1-3H3
InChIKeyAGTIYOOYWKMJCU-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.17
Rot. Bonds4

About N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110271954) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID110271954
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cncc(C2CCCN2C(=O)c2nccn2C)n1
InChIInChI=1S/C17H22N6O2/c1-12(24)22(3)11-13-9-18-10-14(20-13)15-5-4-7-23(15)17(25)16-19-6-8-21(16)2/h6,8-10,15H,4-5,7,11H2,1-3H3
InChIKeyAGTIYOOYWKMJCU-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 110271954) is N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)N(C)Cc1cncc(C2CCCN2C(=O)c2nccn2C)n1.
What is the InChIKey of N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is AGTIYOOYWKMJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12(24)22(3)11-13-9-18-10-14(20-13)15-5-4-7-23(15)17(25)16-19-6-8-21(16)2/h6,8-10,15H,4-5,7,11H2,1-3H3.
What are the key properties of N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110271954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).