4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

C17H16ClN5O2S — CID 166162898

IUPAC4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCCc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC)s1
InChIInChI=1S/C17H16ClN5O2S/c1-4-10-7-20-14(18)6-11(10)12-5-9(2)19-8-13(12)15(24)21-16-22-23-17(25-3)26-16/h5-8H,4H2,1-3H3,(H,21,22,24)
InChIKeyMXXWOLXRSVZKME-UHFFFAOYSA-N
MW389.87 g/mol
LogP3.78
Rot. Bonds5

About 4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (PubChem CID 166162898) has the molecular formula C17H16ClN5O2S and a molecular weight of 389.87 g/mol. Its IUPAC name is 4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
PubChem CID166162898
Molecular FormulaC17H16ClN5O2S
Molecular Weight389.87 g/mol
Exact Mass389.07
IUPAC Name4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCCc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC)s1
InChIInChI=1S/C17H16ClN5O2S/c1-4-10-7-20-14(18)6-11(10)12-5-9(2)19-8-13(12)15(24)21-16-22-23-17(25-3)26-16/h5-8H,4H2,1-3H3,(H,21,22,24)
InChIKeyMXXWOLXRSVZKME-UHFFFAOYSA-N
XLogP3.78
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
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-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (CID 166162898) is 4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is CCc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC)s1.
What is the InChIKey of 4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is MXXWOLXRSVZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2S/c1-4-10-7-20-14(18)6-11(10)12-5-9(2)19-8-13(12)15(24)21-16-22-23-17(25-3)26-16/h5-8H,4H2,1-3H3,(H,21,22,24).
What are the key properties of 4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 389.87 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 166162898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).