N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide

C19H15N5OS — CID 2431594

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)s1
InChIInChI=1S/C19H15N5OS/c1-2-17-23-24-19(26-17)22-18(25)13-11-16(15-9-5-6-10-20-15)21-14-8-4-3-7-12(13)14/h3-11H,2H2,1H3,(H,22,24,25)
InChIKeyMNOXZMYWKPFITB-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.96
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2431594) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2431594
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)s1
InChIInChI=1S/C19H15N5OS/c1-2-17-23-24-19(26-17)22-18(25)13-11-16(15-9-5-6-10-20-15)21-14-8-4-3-7-12(13)14/h3-11H,2H2,1H3,(H,22,24,25)
InChIKeyMNOXZMYWKPFITB-UHFFFAOYSA-N
XLogP3.96
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 2431594) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide is CCc1nnc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is MNOXZMYWKPFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-2-17-23-24-19(26-17)22-18(25)13-11-16(15-9-5-6-10-20-15)21-14-8-4-3-7-12(13)14/h3-11H,2H2,1H3,(H,22,24,25).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2431594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).