6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide

C11H14ClN3O2 — CID 106551626

IUPAC6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide
SMILESCC1CC(NC(=O)c2cncc(Cl)n2)CCO1
InChIInChI=1S/C11H14ClN3O2/c1-7-4-8(2-3-17-7)14-11(16)9-5-13-6-10(12)15-9/h5-8H,2-4H2,1H3,(H,14,16)
InChIKeyVQFMDAAFSNHCPI-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.43
Rot. Bonds2

About 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide

6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide (PubChem CID 106551626) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide
PubChem CID106551626
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide
SMILESCC1CC(NC(=O)c2cncc(Cl)n2)CCO1
InChIInChI=1S/C11H14ClN3O2/c1-7-4-8(2-3-17-7)14-11(16)9-5-13-6-10(12)15-9/h5-8H,2-4H2,1H3,(H,14,16)
InChIKeyVQFMDAAFSNHCPI-UHFFFAOYSA-N
XLogP1.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321292
6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
CID 103336797
3,6-dichloro-N-(2-methyloxan-4-yl)pyridine-2-carboxamide
CID 113346386
6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
CID 106551266
N-(azetidin-3-yl)-6-chloropyrazine-2-carboxamide;hydrochloride
CID 118279228
6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 106551204
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid
CID 118279389
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 106551335
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide (CID 106551626) is 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide is CC1CC(NC(=O)c2cncc(Cl)n2)CCO1.
What is the InChIKey of 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide?
The InChIKey is VQFMDAAFSNHCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-4-8(2-3-17-7)14-11(16)9-5-13-6-10(12)15-9/h5-8H,2-4H2,1H3,(H,14,16).
What are the key properties of 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide?
6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).