2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide

C16H22N2O — CID 42905846

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)CC1CC2CCC1C2)c1ccccn1
InChIInChI=1S/C16H22N2O/c1-11(15-4-2-3-7-17-15)18-16(19)10-14-9-12-5-6-13(14)8-12/h2-4,7,11-14H,5-6,8-10H2,1H3,(H,18,19)
InChIKeyAZYSLPXZSRPVOP-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 42905846) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID42905846
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)CC1CC2CCC1C2)c1ccccn1
InChIInChI=1S/C16H22N2O/c1-11(15-4-2-3-7-17-15)18-16(19)10-14-9-12-5-6-13(14)8-12/h2-4,7,11-14H,5-6,8-10H2,1H3,(H,18,19)
InChIKeyAZYSLPXZSRPVOP-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 55576995
2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81406682
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187782
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-pyridin-2-ylethanamine
CID 79558657
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 18107024
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634096
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19467157
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
CID 114305540

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide (CID 42905846) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide is CC(NC(=O)CC1CC2CCC1C2)c1ccccn1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is AZYSLPXZSRPVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(15-4-2-3-7-17-15)18-16(19)10-14-9-12-5-6-13(14)8-12/h2-4,7,11-14H,5-6,8-10H2,1H3,(H,18,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 42905846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).