5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide

C12H17ClN4O — CID 113265016

IUPAC5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C12H17ClN4O/c1-16-4-3-9(7-16)8-17(2)12(18)10-5-15-11(13)6-14-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyUJORJNZIQPQXFM-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.15
Rot. Bonds3

About 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide

5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 113265016) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID113265016
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C12H17ClN4O/c1-16-4-3-9(7-16)8-17(2)12(18)10-5-15-11(13)6-14-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyUJORJNZIQPQXFM-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 107257835
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107252486
5-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 63275515
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 107257834
2-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 63274888
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 45220091
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 106993833

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide (CID 113265016) is 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide is CN1CCC(CN(C)C(=O)c2cnc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is UJORJNZIQPQXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-16-4-3-9(7-16)8-17(2)12(18)10-5-15-11(13)6-14-10/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide?
5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 113265016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).