6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide

C17H16ClN5O2 — CID 134795266

IUPAC6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCCN(c2nc3ncccc3o2)C1)c1ccc(Cl)nc1
InChIInChI=1S/C17H16ClN5O2/c18-14-6-5-11(9-20-14)16(24)21-12-3-2-8-23(10-12)17-22-15-13(25-17)4-1-7-19-15/h1,4-7,9,12H,2-3,8,10H2,(H,21,24)
InChIKeyQIBLVAUPMYIHNA-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.67
Rot. Bonds3

About 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide

6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 134795266) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide
PubChem CID134795266
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCCN(c2nc3ncccc3o2)C1)c1ccc(Cl)nc1
InChIInChI=1S/C17H16ClN5O2/c18-14-6-5-11(9-20-14)16(24)21-12-3-2-8-23(10-12)17-22-15-13(25-17)4-1-7-19-15/h1,4-7,9,12H,2-3,8,10H2,(H,21,24)
InChIKeyQIBLVAUPMYIHNA-UHFFFAOYSA-N
XLogP2.67
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 134791512
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 154823410
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 134791749
N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide
CID 134792125
N-[(1-methylimidazol-2-yl)methyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154566401
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidin-3-amine
CID 43831644
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
CID 154564115
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154568639
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155503397

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide (CID 134795266) is 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide is O=C(NC1CCCN(c2nc3ncccc3o2)C1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is QIBLVAUPMYIHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-14-6-5-11(9-20-14)16(24)21-12-3-2-8-23(10-12)17-22-15-13(25-17)4-1-7-19-15/h1,4-7,9,12H,2-3,8,10H2,(H,21,24).
What are the key properties of 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide?
6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134795266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).