6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C18H17BrN6OS — CID 133329302

IUPAC6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NC2CCN(c3ccc(Br)cc3)C2)nc1
InChIInChI=1S/C18H17BrN6OS/c19-13-2-4-15(5-3-13)25-8-7-14(10-25)22-16-6-1-12(9-20-16)17(26)23-18-24-21-11-27-18/h1-6,9,11,14H,7-8,10H2,(H,20,22)(H,23,24,26)
InChIKeyFKLSTXRVMRAPRU-UHFFFAOYSA-N
MW445.35 g/mol
LogP3.64
Rot. Bonds5

About 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133329302) has the molecular formula C18H17BrN6OS and a molecular weight of 445.35 g/mol. Its IUPAC name is 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133329302
Molecular FormulaC18H17BrN6OS
Molecular Weight445.35 g/mol
Exact Mass444.04
IUPAC Name6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NC2CCN(c3ccc(Br)cc3)C2)nc1
InChIInChI=1S/C18H17BrN6OS/c19-13-2-4-15(5-3-13)25-8-7-14(10-25)22-16-6-1-12(9-20-16)17(26)23-18-24-21-11-27-18/h1-6,9,11,14H,7-8,10H2,(H,20,22)(H,23,24,26)
InChIKeyFKLSTXRVMRAPRU-UHFFFAOYSA-N
XLogP3.64
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339327
6-[(1-cyclohexylpiperidin-3-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339180
6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133328992
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133448107
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 51117837
6-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339748
6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340452
6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133461877
6-[3-(butanoylamino)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133354793
6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329677

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133329302) is 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NC2CCN(c3ccc(Br)cc3)C2)nc1.
What is the InChIKey of 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is FKLSTXRVMRAPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN6OS/c19-13-2-4-15(5-3-13)25-8-7-14(10-25)22-16-6-1-12(9-20-16)17(26)23-18-24-21-11-27-18/h1-6,9,11,14H,7-8,10H2,(H,20,22)(H,23,24,26).
What are the key properties of 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 445.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133329302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).