N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide

C13H13ClN2OS — CID 1246828

IUPACN-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(Cl)cn2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-2-3-11-6-9(8-18-11)13(17)16-12-5-4-10(14)7-15-12/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyVHUXEKGCBDVDBF-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.00
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide

N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide (PubChem CID 1246828) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide
PubChem CID1246828
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(Cl)cn2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-2-3-11-6-9(8-18-11)13(17)16-12-5-4-10(14)7-15-12/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyVHUXEKGCBDVDBF-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide (CID 1246828) is N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)Nc2ccc(Cl)cn2)cs1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide?
The InChIKey is VHUXEKGCBDVDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-3-11-6-9(8-18-11)13(17)16-12-5-4-10(14)7-15-12/h4-8H,2-3H2,1H3,(H,15,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide?
N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 1246828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).