N-butyl-5-chloropyrazine-2-carboxamide

C9H12ClN3O — CID 103803228

IUPACN-butyl-5-chloropyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C9H12ClN3O/c1-2-3-4-11-9(14)7-5-13-8(10)6-12-7/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyBVDCXPDFXRKAEY-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.66
Rot. Bonds4

About N-butyl-5-chloropyrazine-2-carboxamide

N-butyl-5-chloropyrazine-2-carboxamide (PubChem CID 103803228) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is N-butyl-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-chloropyrazine-2-carboxamide
PubChem CID103803228
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC NameN-butyl-5-chloropyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C9H12ClN3O/c1-2-3-4-11-9(14)7-5-13-8(10)6-12-7/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyBVDCXPDFXRKAEY-UHFFFAOYSA-N
XLogP1.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259
5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-chloropyrazine-2-carboxamide (CID 103803228) is N-butyl-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-chloropyrazine-2-carboxamide is CCCCNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of N-butyl-5-chloropyrazine-2-carboxamide?
The InChIKey is BVDCXPDFXRKAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-2-3-4-11-9(14)7-5-13-8(10)6-12-7/h5-6H,2-4H2,1H3,(H,11,14).
What are the key properties of N-butyl-5-chloropyrazine-2-carboxamide?
N-butyl-5-chloropyrazine-2-carboxamide has a molecular weight of 213.67 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 103803228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).