6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide

C14H14ClN3O — CID 114035324

IUPAC6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2cncc(Cl)n2)cc1
InChIInChI=1S/C14H14ClN3O/c1-3-10-4-6-11(7-5-10)18(2)14(19)12-8-16-9-13(15)17-12/h4-9H,3H2,1-2H3
InChIKeyWSZHYYRZHOGEBT-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.97
Rot. Bonds3

About 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide

6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide (PubChem CID 114035324) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
PubChem CID114035324
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2cncc(Cl)n2)cc1
InChIInChI=1S/C14H14ClN3O/c1-3-10-4-6-11(7-5-10)18(2)14(19)12-8-16-9-13(15)17-12/h4-9H,3H2,1-2H3
InChIKeyWSZHYYRZHOGEBT-UHFFFAOYSA-N
XLogP2.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide
CID 114035325
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161111
6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 62004228
N-(4-ethylphenyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248939
6-chloro-N,N-dipropylpyrazine-2-carboxamide
CID 103186958
5-(ethylamino)-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 107375022
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
CID 103337318
N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105066566
N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133305379
6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide
CID 106551556
6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide
CID 103187282

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide (CID 114035324) is 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide is CCc1ccc(N(C)C(=O)c2cncc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide?
The InChIKey is WSZHYYRZHOGEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-3-10-4-6-11(7-5-10)18(2)14(19)12-8-16-9-13(15)17-12/h4-9H,3H2,1-2H3.
What are the key properties of 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide?
6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 114035324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).