N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide

C14H13ClN4O2 — CID 103803621

IUPACN-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C14H13ClN4O2/c1-8-3-4-10(18-9(2)20)5-11(8)19-14(21)12-6-17-13(15)7-16-12/h3-7H,1-2H3,(H,18,20)(H,19,21)
InChIKeyFVGVIIMBSHZBJH-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.65
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide

N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide (PubChem CID 103803621) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
PubChem CID103803621
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC NameN-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C14H13ClN4O2/c1-8-3-4-10(18-9(2)20)5-11(8)19-14(21)12-6-17-13(15)7-16-12/h3-7H,1-2H3,(H,18,20)(H,19,21)
InChIKeyFVGVIIMBSHZBJH-UHFFFAOYSA-N
XLogP2.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 107246307
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
5-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 107246554
5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide
CID 107371747
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
N-(4-acetamido-3-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 46421778
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
CID 3286740
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide (CID 103803621) is N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)c2cnc(Cl)cn2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide?
The InChIKey is FVGVIIMBSHZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-8-3-4-10(18-9(2)20)5-11(8)19-14(21)12-6-17-13(15)7-16-12/h3-7H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide?
N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 103803621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).