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

C17H16ClN5O2 — CID 134791512

IUPAC6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nc3ncccc3o2)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C17H16ClN5O2/c18-14-4-3-11(10-20-14)16(24)21-12-5-8-23(9-6-12)17-22-15-13(25-17)2-1-7-19-15/h1-4,7,10,12H,5-6,8-9H2,(H,21,24)
InChIKeyDWGLYNXTPOACDC-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-4-yl]pyridine-3-carboxamide

6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 134791512) 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-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID134791512
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-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nc3ncccc3o2)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C17H16ClN5O2/c18-14-4-3-11(10-20-14)16(24)21-12-5-8-23(9-6-12)17-22-15-13(25-17)2-1-7-19-15/h1-4,7,10,12H,5-6,8-9H2,(H,21,24)
InChIKeyDWGLYNXTPOACDC-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-3-yl]pyridine-3-carboxamide
CID 134795266
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
(4-methylphenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270792
6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 111338627
[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 163340026
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
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
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 50754741
N-[(3-fluorophenyl)methyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 134793193
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 134791512) is 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2nc3ncccc3o2)CC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is DWGLYNXTPOACDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-14-4-3-11(10-20-14)16(24)21-12-5-8-23(9-6-12)17-22-15-13(25-17)2-1-7-19-15/h1-4,7,10,12H,5-6,8-9H2,(H,21,24).
What are the key properties of 6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-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-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134791512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).