N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide

C21H22N6O3S — CID 53399867

IUPACN-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnsc1NC(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C21H22N6O3S/c1-30-17-10-3-2-8-15(17)23-19(28)18-20(31-26-25-18)24-21(29)27-12-5-4-9-16(27)14-7-6-11-22-13-14/h2-3,6-8,10-11,13,16H,4-5,9,12H2,1H3,(H,23,28)(H,24,29)
InChIKeyYPWKFEKPDJQBHJ-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.95
Rot. Bonds5

About N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide

N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide (PubChem CID 53399867) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
PubChem CID53399867
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC NameN-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnsc1NC(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C21H22N6O3S/c1-30-17-10-3-2-8-15(17)23-19(28)18-20(31-26-25-18)24-21(29)27-12-5-4-9-16(27)14-7-6-11-22-13-14/h2-3,6-8,10-11,13,16H,4-5,9,12H2,1H3,(H,23,28)(H,24,29)
InChIKeyYPWKFEKPDJQBHJ-UHFFFAOYSA-N
XLogP3.95
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 98201542
(2S)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819296
(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819295
N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 53399865
(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076725
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
N-(4-methoxybenzoyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 23738906
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 125166444

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide (CID 53399867) is N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide is COc1ccccc1NC(=O)c1nnsc1NC(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The InChIKey is YPWKFEKPDJQBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c1-30-17-10-3-2-8-15(17)23-19(28)18-20(31-26-25-18)24-21(29)27-12-5-4-9-16(27)14-7-6-11-22-13-14/h2-3,6-8,10-11,13,16H,4-5,9,12H2,1H3,(H,23,28)(H,24,29).
What are the key properties of N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide?
N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide is sourced from PubChem (CID 53399867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).