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

C11H15ClN4O — CID 103803729

IUPAC5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C11H15ClN4O/c1-16-3-2-8(7-16)4-15-11(17)9-5-14-10(12)6-13-9/h5-6,8H,2-4,7H2,1H3,(H,15,17)
InChIKeyOGFNPRYKWHJLJH-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.81
Rot. Bonds3

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

5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 103803729) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID103803729
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C11H15ClN4O/c1-16-3-2-8(7-16)4-15-11(17)9-5-14-10(12)6-13-9/h5-6,8H,2-4,7H2,1H3,(H,15,17)
InChIKeyOGFNPRYKWHJLJH-UHFFFAOYSA-N
XLogP0.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 113265016
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 81316570
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 107371808
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516
4-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 166196381
5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide
CID 107258047
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
5-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 107374811
2-chloro-6-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 62235791

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide (CID 103803729) is 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide is CN1CCC(CNC(=O)c2cnc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is OGFNPRYKWHJLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-16-3-2-8(7-16)4-15-11(17)9-5-14-10(12)6-13-9/h5-6,8H,2-4,7H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103803729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).