3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide

C16H22N2O2 — CID 127265877

IUPAC3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)NC1CC2CCC1O2)c1cccnc1
InChIInChI=1S/C16H22N2O2/c1-10(2)15(11-4-3-7-17-9-11)16(19)18-13-8-12-5-6-14(13)20-12/h3-4,7,9-10,12-15H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyNEBLNEJTKSYRMB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds4

About 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide

3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide (PubChem CID 127265877) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide
PubChem CID127265877
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)NC1CC2CCC1O2)c1cccnc1
InChIInChI=1S/C16H22N2O2/c1-10(2)15(11-4-3-7-17-9-11)16(19)18-13-8-12-5-6-14(13)20-12/h3-4,7,9-10,12-15H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyNEBLNEJTKSYRMB-UHFFFAOYSA-N
XLogP2.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
2-carbamothioyl-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80719880
2-chloro-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 62225149
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98849832
(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide
CID 100653110
N-(4-aminocyclohexyl)-2-pyridin-3-ylpropanamide
CID 119475339
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 166532068
2,4-difluoro-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-(3-pyridin-3-ylpropanoylamino)benzamide
CID 176500584
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103788624

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide?
The IUPAC name of 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide (CID 127265877) is 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide.
What is the SMILES notation for 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide?
The canonical SMILES for 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide is CC(C)C(C(=O)NC1CC2CCC1O2)c1cccnc1.
What is the InChIKey of 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide?
The InChIKey is NEBLNEJTKSYRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)15(11-4-3-7-17-9-11)16(19)18-13-8-12-5-6-14(13)20-12/h3-4,7,9-10,12-15H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide?
3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide has a molecular weight of 274.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-pyridin-3-ylbutanamide is sourced from PubChem (CID 127265877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).