N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

C15H17N5O2S — CID 91948919

IUPACN-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESO=C(c1cnc2nsnc2c1)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C15H17N5O2S/c21-14(9-2-1-5-16-7-9)20(11-3-4-11)15(22)10-6-12-13(17-8-10)19-23-18-12/h6,8-9,11,16H,1-5,7H2
InChIKeyZHFFWSLNNMTDFS-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.22
Rot. Bonds3

About N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 91948919) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
PubChem CID91948919
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESO=C(c1cnc2nsnc2c1)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C15H17N5O2S/c21-14(9-2-1-5-16-7-9)20(11-3-4-11)15(22)10-6-12-13(17-8-10)19-23-18-12/h6,8-9,11,16H,1-5,7H2
InChIKeyZHFFWSLNNMTDFS-UHFFFAOYSA-N
XLogP1.22
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(piperidine-3-carbonyl)pyrazine-2-carboxamide
CID 91953778
5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
CID 91953663
N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide
CID 91950476
N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 91953678
N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
CID 91949812
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948875
2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
CID 81141373
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
N-cyclopropyl-N-[3-(1,6-naphthyridin-5-ylsulfanyl)propanoyl]piperidine-3-carboxamide
CID 91948849
(3S)-N-cyclopentyl-N-methylpiperidine-3-carboxamide
CID 81123260

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (CID 91948919) is N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is O=C(c1cnc2nsnc2c1)N(C(=O)C1CCCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is ZHFFWSLNNMTDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c21-14(9-2-1-5-16-7-9)20(11-3-4-11)15(22)10-6-12-13(17-8-10)19-23-18-12/h6,8-9,11,16H,1-5,7H2.
What are the key properties of N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 91948919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).