N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide

C13H14N4OS — CID 15231502

IUPACN-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCSc1ccncc1)c1cnccn1
InChIInChI=1S/C13H14N4OS/c18-13(12-10-15-7-8-16-12)17-4-1-9-19-11-2-5-14-6-3-11/h2-3,5-8,10H,1,4,9H2,(H,17,18)
InChIKeyDFYPXWRGYDSIBQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.78
Rot. Bonds6

About N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide

N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide (PubChem CID 15231502) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide
PubChem CID15231502
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCSc1ccncc1)c1cnccn1
InChIInChI=1S/C13H14N4OS/c18-13(12-10-15-7-8-16-12)17-4-1-9-19-11-2-5-14-6-3-11/h2-3,5-8,10H,1,4,9H2,(H,17,18)
InChIKeyDFYPXWRGYDSIBQ-UHFFFAOYSA-N
XLogP1.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
CID 27887675
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
CID 67740105
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide
CID 15295262
2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride
CID 19079137
N-(3-azidopropyl)pyrazine-2-carboxamide
CID 62199377
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide (CID 15231502) is N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide is O=C(NCCCSc1ccncc1)c1cnccn1.
What is the InChIKey of N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide?
The InChIKey is DFYPXWRGYDSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-13(12-10-15-7-8-16-12)17-4-1-9-19-11-2-5-14-6-3-11/h2-3,5-8,10H,1,4,9H2,(H,17,18).
What are the key properties of N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide?
N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 15231502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).