5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide

C14H13ClN4O2 — CID 107246307

IUPAC5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C14H13ClN4O2/c1-8-3-4-9(13(20)16-2)5-10(8)19-14(21)11-6-18-12(15)7-17-11/h3-7H,1-2H3,(H,16,20)(H,19,21)
InChIKeyGQFBAEGSHVPIJV-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.05
Rot. Bonds3

About 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide

5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide (PubChem CID 107246307) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
PubChem CID107246307
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C14H13ClN4O2/c1-8-3-4-9(13(20)16-2)5-10(8)19-14(21)11-6-18-12(15)7-17-11/h3-7H,1-2H3,(H,16,20)(H,19,21)
InChIKeyGQFBAEGSHVPIJV-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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
N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803621
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
6-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46439271
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
3-benzamido-N,4-dimethylbenzamide
CID 17226324
5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63998435
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
5-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 107246554
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide
CID 136555118
3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide
CID 39133027

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide (CID 107246307) is 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)c2cnc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is GQFBAEGSHVPIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-8-3-4-9(13(20)16-2)5-10(8)19-14(21)11-6-18-12(15)7-17-11/h3-7H,1-2H3,(H,16,20)(H,19,21).
What are the key properties of 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide?
5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107246307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).