3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide

C12H17FN4O — CID 126856928

IUPAC3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cncc(N2CCC(F)(C(=O)N(C)C)C2)n1
InChIInChI=1S/C12H17FN4O/c1-9-6-14-7-10(15-9)17-5-4-12(13,8-17)11(18)16(2)3/h6-7H,4-5,8H2,1-3H3
InChIKeyVUTYDIWNZRZYIF-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.79
Rot. Bonds2

About 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide

3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 126856928) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide
PubChem CID126856928
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cncc(N2CCC(F)(C(=O)N(C)C)C2)n1
InChIInChI=1S/C12H17FN4O/c1-9-6-14-7-10(15-9)17-5-4-12(13,8-17)11(18)16(2)3/h6-7H,4-5,8H2,1-3H3
InChIKeyVUTYDIWNZRZYIF-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 126856917
ethane;methanol;2-methyl-6-pyrrolidin-1-ylpyrazine
CID 169251343
(4,4-difluoropiperidin-1-yl)-[4-(6-methylpyrazin-2-yl)morpholin-2-yl]methanone
CID 163345706
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 103356411
2-(4-cyclopropylpiperazin-1-yl)-6-methylpyrazine
CID 133468968
1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 131891825
2-cyclohexyl-1-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 133469560
2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole
CID 133470505
6-(3,3-dimethylpyrrolidin-1-yl)pyrazin-2-amine
CID 79034078
(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-ol
CID 129412688
N-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 123712985
N-(3-methylbutan-2-yl)-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide
CID 133469352

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide (CID 126856928) is 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide is Cc1cncc(N2CCC(F)(C(=O)N(C)C)C2)n1.
What is the InChIKey of 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is VUTYDIWNZRZYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-9-6-14-7-10(15-9)17-5-4-12(13,8-17)11(18)16(2)3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide?
3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyl-1-(6-methylpyrazin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 126856928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).