N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide

C17H19N5O — CID 109288338

IUPACN-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C17H19N5O/c1-3-4-9-22(2)17(23)15-11-20-16(12-19-15)21-14-7-5-13(10-18)6-8-14/h5-8,11-12H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyRLKADXAMGXHUBT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.96
Rot. Bonds6

About N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide

N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109288338) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
PubChem CID109288338
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C17H19N5O/c1-3-4-9-22(2)17(23)15-11-20-16(12-19-15)21-14-7-5-13(10-18)6-8-14/h5-8,11-12H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyRLKADXAMGXHUBT-UHFFFAOYSA-N
XLogP2.96
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
5-(4-cyanoanilino)-N-propylpyrazine-2-carboxamide
CID 109270948
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide (CID 109288338) is N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2ccc(C#N)cc2)cn1.
What is the InChIKey of N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide?
The InChIKey is RLKADXAMGXHUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-4-9-22(2)17(23)15-11-20-16(12-19-15)21-14-7-5-13(10-18)6-8-14/h5-8,11-12H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide?
N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109288338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).