1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C12H17ClN4O — CID 114172807

IUPAC1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C12H17ClN4O/c1-12(11(18)14-2)3-4-17(8-12)7-9-5-16-10(13)6-15-9/h5-6H,3-4,7-8H2,1-2H3,(H,14,18)
InChIKeyAEMLEGNAFBQARU-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.09
Rot. Bonds3

About 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 114172807) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID114172807
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C12H17ClN4O/c1-12(11(18)14-2)3-4-17(8-12)7-9-5-16-10(13)6-15-9/h5-6H,3-4,7-8H2,1-2H3,(H,14,18)
InChIKeyAEMLEGNAFBQARU-UHFFFAOYSA-N
XLogP1.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-hydrazinyl-2-pyridinyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321690
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
1-methyl-5-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]pyrazole-4-carboxylic acid
CID 106318950
1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317846
1-[[3-(aminomethyl)-5-fluorophenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317892
4-[(5-chloropyrazin-2-yl)methyl]-7,7-dimethyl-1,4-thiazepane
CID 107454427
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114218082
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321611
N,3-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrrolidine-3-carboxamide
CID 106321575
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 110249082
1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol
CID 103055334
N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 110249101

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 114172807) is 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(Cc2cnc(Cl)cn2)C1.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is AEMLEGNAFBQARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-12(11(18)14-2)3-4-17(8-12)7-9-5-16-10(13)6-15-9/h5-6H,3-4,7-8H2,1-2H3,(H,14,18).
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114172807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).