4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide

C9H9ClN2O2 — CID 81232941

IUPAC4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1COC1)c1cnccc1Cl
InChIInChI=1S/C9H9ClN2O2/c10-8-1-2-11-3-7(8)9(13)12-6-4-14-5-6/h1-3,6H,4-5H2,(H,12,13)
InChIKeyYKIZPQCBPJUQRX-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.86
Rot. Bonds2

About 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide

4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide (PubChem CID 81232941) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide
PubChem CID81232941
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1COC1)c1cnccc1Cl
InChIInChI=1S/C9H9ClN2O2/c10-8-1-2-11-3-7(8)9(13)12-6-4-14-5-6/h1-3,6H,4-5H2,(H,12,13)
InChIKeyYKIZPQCBPJUQRX-UHFFFAOYSA-N
XLogP0.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide
CID 81225808
4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 81229203
N-(2-adamantyl)-4-chloropyridine-3-carboxamide
CID 81230801
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 81230031
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 81232502
4-chloro-N-morpholin-4-ylpyridine-3-carboxamide
CID 82841865
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226
4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604
4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide (CID 81232941) is 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide is O=C(NC1COC1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide?
The InChIKey is YKIZPQCBPJUQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-8-1-2-11-3-7(8)9(13)12-6-4-14-5-6/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide?
4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide has a molecular weight of 212.64 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81232941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).