4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

C13H15N3OS — CID 175757228

IUPAC4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1c(C2(C#N)CC2)ccnc1C(=O)NC
InChIInChI=1S/C13H15N3OS/c1-3-18-11-9(13(8-14)5-6-13)4-7-16-10(11)12(17)15-2/h4,7H,3,5-6H2,1-2H3,(H,15,17)
InChIKeyBWCXEXMEHZTJJK-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.11
Rot. Bonds4

About 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (PubChem CID 175757228) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
PubChem CID175757228
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1c(C2(C#N)CC2)ccnc1C(=O)NC
InChIInChI=1S/C13H15N3OS/c1-3-18-11-9(13(8-14)5-6-13)4-7-16-10(11)12(17)15-2/h4,7H,3,5-6H2,1-2H3,(H,15,17)
InChIKeyBWCXEXMEHZTJJK-UHFFFAOYSA-N
XLogP2.11
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (CID 175757228) is 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is CCSc1c(C2(C#N)CC2)ccnc1C(=O)NC.
What is the InChIKey of 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The InChIKey is BWCXEXMEHZTJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-18-11-9(13(8-14)5-6-13)4-7-16-10(11)12(17)15-2/h4,7H,3,5-6H2,1-2H3,(H,15,17).
What are the key properties of 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanocyclopropyl)-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 175757228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).