2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

C17H11N5OS — CID 29369713

IUPAC2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nncs1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C17H11N5OS/c23-16(21-17-22-19-10-24-17)13-8-15(11-4-3-7-18-9-11)20-14-6-2-1-5-12(13)14/h1-10H,(H,21,22,23)
InChIKeyURQYVSBGSNXWOB-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.40
Rot. Bonds3

About 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 29369713) has the molecular formula C17H11N5OS and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID29369713
Molecular FormulaC17H11N5OS
Molecular Weight333.38 g/mol
Exact Mass333.07
IUPAC Name2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nncs1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C17H11N5OS/c23-16(21-17-22-19-10-24-17)13-8-15(11-4-3-7-18-9-11)20-14-6-2-1-5-12(13)14/h1-10H,(H,21,22,23)
InChIKeyURQYVSBGSNXWOB-UHFFFAOYSA-N
XLogP3.40
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
2-(2,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1010315
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 155910501
2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide
CID 17497675
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 112761975
N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 30294376
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27689112
N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27679654

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 29369713) is 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nncs1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is URQYVSBGSNXWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS/c23-16(21-17-22-19-10-24-17)13-8-15(11-4-3-7-18-9-11)20-14-6-2-1-5-12(13)14/h1-10H,(H,21,22,23).
What are the key properties of 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 29369713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).