3-(3,4-dichloroanilino)pyrazine-2-carboxamide

C11H8Cl2N4O — CID 122372729

IUPAC3-(3,4-dichloroanilino)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N4O/c12-7-2-1-6(5-8(7)13)17-11-9(10(14)18)15-3-4-16-11/h1-5H,(H2,14,18)(H,16,17)
InChIKeyZPAYTAUOBCPURF-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.63
Rot. Bonds3

About 3-(3,4-dichloroanilino)pyrazine-2-carboxamide

3-(3,4-dichloroanilino)pyrazine-2-carboxamide (PubChem CID 122372729) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)pyrazine-2-carboxamide
PubChem CID122372729
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC Name3-(3,4-dichloroanilino)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N4O/c12-7-2-1-6(5-8(7)13)17-11-9(10(14)18)15-3-4-16-11/h1-5H,(H2,14,18)(H,16,17)
InChIKeyZPAYTAUOBCPURF-UHFFFAOYSA-N
XLogP2.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromoanilino)pyrazine-2-carboxamide
CID 122372728
5-[(3-carbamoylpyrazin-2-yl)amino]-2-methylbenzoic acid
CID 63653354
4-[(3-carbamothioylpyrazin-2-yl)amino]benzamide
CID 55103040
3-(4-chloroanilino)pyrazine-2-carbothioamide
CID 62685629
N-[4-[(3-carbamothioylpyrazin-2-yl)amino]phenyl]acetamide
CID 62683421
sodium 2-[2-(3,4-dichloroanilino)-3-pyridinyl]acetate
CID 67938917
3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 144857846
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
CID 14739451
5-chloro-2-(3,4-dichloroanilino)benzamide
CID 141087561
5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide
CID 123557222
3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(3,4-dichloroanilino)-1,2,4-triazine-6-carboxamide
CID 72704858
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)pyrazine-2-carboxamide?
The IUPAC name of 3-(3,4-dichloroanilino)pyrazine-2-carboxamide (CID 122372729) is 3-(3,4-dichloroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(3,4-dichloroanilino)pyrazine-2-carboxamide?
The canonical SMILES for 3-(3,4-dichloroanilino)pyrazine-2-carboxamide is NC(=O)c1nccnc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichloroanilino)pyrazine-2-carboxamide?
The InChIKey is ZPAYTAUOBCPURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c12-7-2-1-6(5-8(7)13)17-11-9(10(14)18)15-3-4-16-11/h1-5H,(H2,14,18)(H,16,17).
What are the key properties of 3-(3,4-dichloroanilino)pyrazine-2-carboxamide?
3-(3,4-dichloroanilino)pyrazine-2-carboxamide has a molecular weight of 283.12 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 122372729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).