N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide

C14H20N2OS — CID 75417609

IUPACN-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCCSc1cc(C(=O)N(C(C)C)C2CC2)ccn1
InChIInChI=1S/C14H20N2OS/c1-4-18-13-9-11(7-8-15-13)14(17)16(10(2)3)12-5-6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyWXFZSVMNWTWYMF-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.21
Rot. Bonds5

About N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide

N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 75417609) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide
PubChem CID75417609
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCCSc1cc(C(=O)N(C(C)C)C2CC2)ccn1
InChIInChI=1S/C14H20N2OS/c1-4-18-13-9-11(7-8-15-13)14(17)16(10(2)3)12-5-6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyWXFZSVMNWTWYMF-UHFFFAOYSA-N
XLogP3.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide (CID 75417609) is N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide is CCSc1cc(C(=O)N(C(C)C)C2CC2)ccn1.
What is the InChIKey of N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is WXFZSVMNWTWYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-18-13-9-11(7-8-15-13)14(17)16(10(2)3)12-5-6-12/h7-10,12H,4-6H2,1-3H3.
What are the key properties of N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide?
N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 75417609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).