N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide

C18H23ClN4O3 — CID 109288332

IUPACN-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2cc(OC)c(Cl)cc2OC)cn1
InChIInChI=1S/C18H23ClN4O3/c1-5-6-7-23(2)18(24)14-10-21-17(11-20-14)22-13-9-15(25-3)12(19)8-16(13)26-4/h8-11H,5-7H2,1-4H3,(H,21,22)
InChIKeyVNJSBLRKNKVUMJ-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.76
Rot. Bonds8

About N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide

N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109288332) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide
PubChem CID109288332
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2cc(OC)c(Cl)cc2OC)cn1
InChIInChI=1S/C18H23ClN4O3/c1-5-6-7-23(2)18(24)14-10-21-17(11-20-14)22-13-9-15(25-3)12(19)8-16(13)26-4/h8-11H,5-7H2,1-4H3,(H,21,22)
InChIKeyVNJSBLRKNKVUMJ-UHFFFAOYSA-N
XLogP3.76
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277891
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289716
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109161559
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285036

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide (CID 109288332) is N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2cc(OC)c(Cl)cc2OC)cn1.
What is the InChIKey of N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide?
The InChIKey is VNJSBLRKNKVUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-5-6-7-23(2)18(24)14-10-21-17(11-20-14)22-13-9-15(25-3)12(19)8-16(13)26-4/h8-11H,5-7H2,1-4H3,(H,21,22).
What are the key properties of N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide?
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109288332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).