N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide

C14H15N3OS — CID 67740105

IUPACN-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCSc1ccncc1)c1ccncc1
InChIInChI=1S/C14H15N3OS/c18-14(12-2-7-15-8-3-12)17-6-1-11-19-13-4-9-16-10-5-13/h2-5,7-10H,1,6,11H2,(H,17,18)
InChIKeyDHTUBOSRQTWDFH-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.39
Rot. Bonds6

About N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide

N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide (PubChem CID 67740105) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
PubChem CID67740105
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCSc1ccncc1)c1ccncc1
InChIInChI=1S/C14H15N3OS/c18-14(12-2-7-15-8-3-12)17-6-1-11-19-13-4-9-16-10-5-13/h2-5,7-10H,1,6,11H2,(H,17,18)
InChIKeyDHTUBOSRQTWDFH-UHFFFAOYSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide
CID 15231502
2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide
CID 15295262
2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride
CID 19079137
N-butylpyridine-4-carboxamide
CID 5030535
N-pentylpyridine-4-carboxamide
CID 2307296
N-(4-aminooxybutyl)pyridine-4-carboxamide
CID 139932357
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
N-(4-pyridin-4-ylsulfanylbutyl)propanamide;dihydrochloride
CID 19079083
N-(3-pyridin-4-ylsulfanylpropyl)decanamide
CID 15295248
2-amino-N-(4-pyridin-4-ylsulfanylbutyl)benzamide;dihydrochloride
CID 19079248
N-hexylpyridine-4-carboxamide
CID 3423732
4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide (CID 67740105) is N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide is O=C(NCCCSc1ccncc1)c1ccncc1.
What is the InChIKey of N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide?
The InChIKey is DHTUBOSRQTWDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-14(12-2-7-15-8-3-12)17-6-1-11-19-13-4-9-16-10-5-13/h2-5,7-10H,1,6,11H2,(H,17,18).
What are the key properties of N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide?
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 67740105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).