N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide

C16H18Cl2N4O — CID 109288331

IUPACN-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C16H18Cl2N4O/c1-3-4-8-22(2)16(23)13-9-20-14(10-19-13)21-12-7-5-6-11(17)15(12)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyWNHZKPNBACQQMD-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.40
Rot. Bonds6

About N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide

N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109288331) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
PubChem CID109288331
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC NameN-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C16H18Cl2N4O/c1-3-4-8-22(2)16(23)13-9-20-14(10-19-13)21-12-7-5-6-11(17)15(12)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyWNHZKPNBACQQMD-UHFFFAOYSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109196018
N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
CID 109161592
5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286840
5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide
CID 109288332
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
CID 109288338

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide (CID 109288331) is N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide?
The InChIKey is WNHZKPNBACQQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-3-4-8-22(2)16(23)13-9-20-14(10-19-13)21-12-7-5-6-11(17)15(12)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide?
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109288331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).