4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide

C16H13ClFN5O3S — CID 166163322

IUPAC4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCc1cc(-c2cc(Cl)ncc2OC(C)F)c(C(=O)Nc2n[nH]c(=O)s2)cn1
InChIInChI=1S/C16H13ClFN5O3S/c1-7-3-9(10-4-13(17)20-6-12(10)26-8(2)18)11(5-19-7)14(24)21-15-22-23-16(25)27-15/h3-6,8H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHKPNJZUIUOERPX-UHFFFAOYSA-N
MW409.83 g/mol
LogP3.20
Rot. Bonds5

About 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide

4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide (PubChem CID 166163322) has the molecular formula C16H13ClFN5O3S and a molecular weight of 409.83 g/mol. Its IUPAC name is 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
PubChem CID166163322
Molecular FormulaC16H13ClFN5O3S
Molecular Weight409.83 g/mol
Exact Mass409.04
IUPAC Name4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCc1cc(-c2cc(Cl)ncc2OC(C)F)c(C(=O)Nc2n[nH]c(=O)s2)cn1
InChIInChI=1S/C16H13ClFN5O3S/c1-7-3-9(10-4-13(17)20-6-12(10)26-8(2)18)11(5-19-7)14(24)21-15-22-23-16(25)27-15/h3-6,8H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHKPNJZUIUOERPX-UHFFFAOYSA-N
XLogP3.20
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide (CID 166163322) is 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide is Cc1cc(-c2cc(Cl)ncc2OC(C)F)c(C(=O)Nc2n[nH]c(=O)s2)cn1.
What is the InChIKey of 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is HKPNJZUIUOERPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O3S/c1-7-3-9(10-4-13(17)20-6-12(10)26-8(2)18)11(5-19-7)14(24)21-15-22-23-16(25)27-15/h3-6,8H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide?
4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide has a molecular weight of 409.83 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(1-fluoroethoxy)-4-pyridinyl]-6-methyl-N-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166163322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).