N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

C13H15ClN2O2 — CID 128706689

IUPACN-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(CC1CC2CCC1O2)Nc1ncccc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-10-2-1-5-15-13(10)16-12(17)7-8-6-9-3-4-11(8)18-9/h1-2,5,8-9,11H,3-4,6-7H2,(H,15,16,17)
InChIKeyVSMGTSCKZWWWFA-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.63
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 128706689) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID128706689
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(CC1CC2CCC1O2)Nc1ncccc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-10-2-1-5-15-13(10)16-12(17)7-8-6-9-3-4-11(8)18-9/h1-2,5,8-9,11H,3-4,6-7H2,(H,15,16,17)
InChIKeyVSMGTSCKZWWWFA-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 103943582
4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103094698
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
N-(3-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 103892864
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 18107024
N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
CID 106740789
2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 103094005
N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
CID 75498742
3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
CID 103094172
methyl 2-[(1R,2R)-7-oxabicyclo[2.2.1]heptan-2-yl]acetate
CID 130359597

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (CID 128706689) is N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is O=C(CC1CC2CCC1O2)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is VSMGTSCKZWWWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-10-2-1-5-15-13(10)16-12(17)7-8-6-9-3-4-11(8)18-9/h1-2,5,8-9,11H,3-4,6-7H2,(H,15,16,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 266.73 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 128706689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).