N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide

C20H19N5O3S — CID 45218608

IUPACN-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(C(=O)c2csnn2)C1
InChIInChI=1S/C20H19N5O3S/c26-19(14-5-4-10-25(12-14)20(27)17-13-29-24-23-17)22-16-7-1-2-8-18(16)28-15-6-3-9-21-11-15/h1-3,6-9,11,13-14H,4-5,10,12H2,(H,22,26)
InChIKeyGYWNAGDSTUEDRJ-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.22
Rot. Bonds5

About N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide

N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 45218608) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID45218608
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(C(=O)c2csnn2)C1
InChIInChI=1S/C20H19N5O3S/c26-19(14-5-4-10-25(12-14)20(27)17-13-29-24-23-17)22-16-7-1-2-8-18(16)28-15-6-3-9-21-11-15/h1-3,6-9,11,13-14H,4-5,10,12H2,(H,22,26)
InChIKeyGYWNAGDSTUEDRJ-UHFFFAOYSA-N
XLogP3.22
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1H-imidazole-5-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45230988
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45185070
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25289271
(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42199128
(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42101490
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45233230
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25275507
(3R)-1-[(5-ethylfuran-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25288806
(3S)-1-(6-methylpyrimidin-4-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97273822
(3S)-1-(4-cyano-2-pyridinyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97275244
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558530

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide (CID 45218608) is N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)C1CCCN(C(=O)c2csnn2)C1.
What is the InChIKey of N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is GYWNAGDSTUEDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c26-19(14-5-4-10-25(12-14)20(27)17-13-29-24-23-17)22-16-7-1-2-8-18(16)28-15-6-3-9-21-11-15/h1-3,6-9,11,13-14H,4-5,10,12H2,(H,22,26).
What are the key properties of N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide?
N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 45218608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).