N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide

C15H16ClN3O — CID 103803190

IUPACN-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C15H16ClN3O/c1-2-3-4-11-5-7-12(8-6-11)19-15(20)13-9-18-14(16)10-17-13/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyQHTNKMJDBINGSD-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.72
Rot. Bonds5

About N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide

N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide (PubChem CID 103803190) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
PubChem CID103803190
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C15H16ClN3O/c1-2-3-4-11-5-7-12(8-6-11)19-15(20)13-9-18-14(16)10-17-13/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyQHTNKMJDBINGSD-UHFFFAOYSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide
CID 107372169
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619079
2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
CID 107371543
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109288366

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide (CID 103803190) is N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide is CCCCc1ccc(NC(=O)c2cnc(Cl)cn2)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide?
The InChIKey is QHTNKMJDBINGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-3-4-11-5-7-12(8-6-11)19-15(20)13-9-18-14(16)10-17-13/h5-10H,2-4H2,1H3,(H,19,20).
What are the key properties of N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide?
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 103803190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).