6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide

C12H16ClN3O — CID 103187282

IUPAC6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cncc(Cl)n1)C1CCCC1
InChIInChI=1S/C12H16ClN3O/c1-2-16(9-5-3-4-6-9)12(17)10-7-14-8-11(13)15-10/h7-9H,2-6H2,1H3
InChIKeyJCGKJKZYKYXDTL-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.53
Rot. Bonds3

About 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide

6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide (PubChem CID 103187282) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide
PubChem CID103187282
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cncc(Cl)n1)C1CCCC1
InChIInChI=1S/C12H16ClN3O/c1-2-16(9-5-3-4-6-9)12(17)10-7-14-8-11(13)15-10/h7-9H,2-6H2,1H3
InChIKeyJCGKJKZYKYXDTL-UHFFFAOYSA-N
XLogP2.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide
CID 114035750
6-chloro-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 103337342
6-chloro-N-cyclohexyl-N-ethylpyridazine-3-carboxamide
CID 54927092
6-chloro-N-cyclopropyl-N-methylpyrazine-2-carboxamide
CID 103187185
5-[cyclohexyl(ethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684743
6-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]pyrazine-2-carboxamide
CID 106551139
3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
CID 66464797
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
6-chloro-N,N-dipropylpyrazine-2-carboxamide
CID 103186958
2-chloro-N-cyclohexyl-N-ethyl-6-hydrazinylpyridine-4-carboxamide
CID 62248666
N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041
5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide (CID 103187282) is 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide is CCN(C(=O)c1cncc(Cl)n1)C1CCCC1.
What is the InChIKey of 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide?
The InChIKey is JCGKJKZYKYXDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-2-16(9-5-3-4-6-9)12(17)10-7-14-8-11(13)15-10/h7-9H,2-6H2,1H3.
What are the key properties of 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide?
6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 103187282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).