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

C18H18ClN5O2S — CID 133380786

IUPAC6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOCCC(Nc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN5O2S/c1-26-9-8-15(12-2-5-14(19)6-3-12)22-16-7-4-13(10-20-16)17(25)23-18-24-21-11-27-18/h2-7,10-11,15H,8-9H2,1H3,(H,20,22)(H,23,24,25)
InChIKeyFTGQAOSOGUGJNN-UHFFFAOYSA-N
MW403.90 g/mol
LogP4.03
Rot. Bonds8

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

6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133380786) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133380786
Molecular FormulaC18H18ClN5O2S
Molecular Weight403.90 g/mol
Exact Mass403.09
IUPAC Name6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOCCC(Nc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN5O2S/c1-26-9-8-15(12-2-5-14(19)6-3-12)22-16-7-4-13(10-20-16)17(25)23-18-24-21-11-27-18/h2-7,10-11,15H,8-9H2,1H3,(H,20,22)(H,23,24,25)
InChIKeyFTGQAOSOGUGJNN-UHFFFAOYSA-N
XLogP4.03
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930
6-[1-(4-bromophenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133328992
5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
CID 133380785
(2S,3S)-3-methyl-2-[[5-(1,3,4-thiadiazol-2-ylcarbamoyl)-2-pyridinyl]amino]pentanoic acid
CID 122050446
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[3-(2,4-dichlorophenoxy)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329073
6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133346016
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-[[2-(4-chlorophenyl)phenyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343631
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
6-[[naphthalen-1-yl(phenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339261
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329643

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133380786) is 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is COCCC(Nc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is FTGQAOSOGUGJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2S/c1-26-9-8-15(12-2-5-14(19)6-3-12)22-16-7-4-13(10-20-16)17(25)23-18-24-21-11-27-18/h2-7,10-11,15H,8-9H2,1H3,(H,20,22)(H,23,24,25).
What are the key properties of 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 403.90 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133380786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).