6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide

C11H14ClN3O2 — CID 106551316

IUPAC6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCOCC1CC1)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c12-10-6-13-5-9(15-10)11(16)14-3-4-17-7-8-1-2-8/h5-6,8H,1-4,7H2,(H,14,16)
InChIKeyZUZGAVPJBLBPBT-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.29
Rot. Bonds6

About 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide

6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide (PubChem CID 106551316) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide
PubChem CID106551316
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCOCC1CC1)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c12-10-6-13-5-9(15-10)11(16)14-3-4-17-7-8-1-2-8/h5-6,8H,1-4,7H2,(H,14,16)
InChIKeyZUZGAVPJBLBPBT-UHFFFAOYSA-N
XLogP1.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
CID 103186875
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213
6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide
CID 106551347
6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide
CID 106551219
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
CID 103762349
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109
6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide
CID 103186858
6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide
CID 106551164
6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
CID 103336797

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide (CID 106551316) is 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide is O=C(NCCOCC1CC1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide?
The InChIKey is ZUZGAVPJBLBPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-6-13-5-9(15-10)11(16)14-3-4-17-7-8-1-2-8/h5-6,8H,1-4,7H2,(H,14,16).
What are the key properties of 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide?
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).