6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide

C11H15ClN4O — CID 106551204

IUPAC6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
SMILESCN1CCCC(NC(=O)c2cncc(Cl)n2)C1
InChIInChI=1S/C11H15ClN4O/c1-16-4-2-3-8(7-16)14-11(17)9-5-13-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3,(H,14,17)
InChIKeyCJYQONMZIGRSLX-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.95
Rot. Bonds2

About 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide

6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide (PubChem CID 106551204) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
PubChem CID106551204
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
SMILESCN1CCCC(NC(=O)c2cncc(Cl)n2)C1
InChIInChI=1S/C11H15ClN4O/c1-16-4-2-3-8(7-16)14-11(17)9-5-13-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3,(H,14,17)
InChIKeyCJYQONMZIGRSLX-UHFFFAOYSA-N
XLogP0.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
5-hydrazinyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 104642278
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489
3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid
CID 118279389
6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
CID 103336797
N-(azetidin-3-yl)-6-chloropyrazine-2-carboxamide;hydrochloride
CID 118279228
6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
CID 106551266
3-hydroxy-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 80706689
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 106551335
cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321292
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide (CID 106551204) is 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide is CN1CCCC(NC(=O)c2cncc(Cl)n2)C1.
What is the InChIKey of 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide?
The InChIKey is CJYQONMZIGRSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-16-4-2-3-8(7-16)14-11(17)9-5-13-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3,(H,14,17).
What are the key properties of 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide?
6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).