5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide

C13H10Cl2N4O2 — CID 103817189

IUPAC5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1Cl
InChIInChI=1S/C13H10Cl2N4O2/c1-16-12(20)8-4-7(2-3-9(8)14)19-13(21)10-5-18-11(15)6-17-10/h2-6H,1H3,(H,16,20)(H,19,21)
InChIKeyRGUJAWKVOGMWMG-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.40
Rot. Bonds3

About 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide

5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide (PubChem CID 103817189) has the molecular formula C13H10Cl2N4O2 and a molecular weight of 325.16 g/mol. Its IUPAC name is 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
PubChem CID103817189
Molecular FormulaC13H10Cl2N4O2
Molecular Weight325.16 g/mol
Exact Mass324.02
IUPAC Name5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1Cl
InChIInChI=1S/C13H10Cl2N4O2/c1-16-12(20)8-4-7(2-3-9(8)14)19-13(21)10-5-18-11(15)6-17-10/h2-6H,1H3,(H,16,20)(H,19,21)
InChIKeyRGUJAWKVOGMWMG-UHFFFAOYSA-N
XLogP2.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
CID 113265025
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60865148
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107573378
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide (CID 103817189) is 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide is CNC(=O)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1Cl.
What is the InChIKey of 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is RGUJAWKVOGMWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O2/c1-16-12(20)8-4-7(2-3-9(8)14)19-13(21)10-5-18-11(15)6-17-10/h2-6H,1H3,(H,16,20)(H,19,21).
What are the key properties of 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide?
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 325.16 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103817189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).