N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide

C24H25N7O2S — CID 53399865

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1nnsc1NC(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H25N7O2S/c32-22(26-12-10-16-15-27-19-8-2-1-7-18(16)19)21-23(34-30-29-21)28-24(33)31-13-4-3-9-20(31)17-6-5-11-25-14-17/h1-2,5-8,11,14-15,20,27H,3-4,9-10,12-13H2,(H,26,32)(H,28,33)
InChIKeyDBOCKPWIPPZMDE-UHFFFAOYSA-N
MW475.58 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide (PubChem CID 53399865) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
PubChem CID53399865
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1nnsc1NC(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H25N7O2S/c32-22(26-12-10-16-15-27-19-8-2-1-7-18(16)19)21-23(34-30-29-21)28-24(33)31-13-4-3-9-20(31)17-6-5-11-25-14-17/h1-2,5-8,11,14-15,20,27H,3-4,9-10,12-13H2,(H,26,32)(H,28,33)
InChIKeyDBOCKPWIPPZMDE-UHFFFAOYSA-N
XLogP4.15
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819296
N-(2-methoxyphenyl)-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 53399867
(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819295
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 175180660
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 110210193
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285624

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide (CID 53399865) is N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1nnsc1NC(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide?
The InChIKey is DBOCKPWIPPZMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S/c32-22(26-12-10-16-15-27-19-8-2-1-7-18(16)19)21-23(34-30-29-21)28-24(33)31-13-4-3-9-20(31)17-6-5-11-25-14-17/h1-2,5-8,11,14-15,20,27H,3-4,9-10,12-13H2,(H,26,32)(H,28,33).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-[(2-pyridin-3-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxamide is sourced from PubChem (CID 53399865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).