propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate

C15H20N2O2 — CID 133468417

IUPACpropan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CC2CCC1C2
InChIInChI=1S/C15H20N2O2/c1-10(2)19-15(18)13-4-3-7-16-14(13)17-9-11-5-6-12(17)8-11/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyACQNNLKRWJGGLV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.64
Rot. Bonds3

About propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate

propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate (PubChem CID 133468417) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate
PubChem CID133468417
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namepropan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CC2CCC1C2
InChIInChI=1S/C15H20N2O2/c1-10(2)19-15(18)13-4-3-7-16-14(13)17-9-11-5-6-12(17)8-11/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyACQNNLKRWJGGLV-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54980530
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CID 75522944
propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 133471654
2-(3-fluoro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 127437089
propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 75478041
propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133468919
propan-2-yl 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133470036
propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate
CID 98892031
propan-2-yl 2-[(3S)-3-[(4-ethylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323448
(3aS,6aR)-2-(3-propan-2-yloxycarbonyl-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063217
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
propan-2-yl 2-[2-cyclopropylimino-3-[4-[(3S)-2-cyclopropylimino-1-(3-propan-2-yloxycarbonyl-2-pyridinyl)pyrrolidin-3-yl]phenyl]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 123433318

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate (CID 133468417) is propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1N1CC2CCC1C2.
What is the InChIKey of propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate?
The InChIKey is ACQNNLKRWJGGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)19-15(18)13-4-3-7-16-14(13)17-9-11-5-6-12(17)8-11/h3-4,7,10-12H,5-6,8-9H2,1-2H3.
What are the key properties of propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate?
propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133468417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).