3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide

C15H19N3O3 — CID 131687984

IUPAC3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide
SMILESCCO[C@H]1CC2CC1CN2C(=O)c1cccnc1C(N)=O
InChIInChI=1S/C15H19N3O3/c1-2-21-12-7-10-6-9(12)8-18(10)15(20)11-4-3-5-17-13(11)14(16)19/h3-5,9-10,12H,2,6-8H2,1H3,(H2,16,19)/t9?,10?,12-/m0/s1
InChIKeyAMKVHUUPESLSQP-CBINBANVSA-N
MW289.33 g/mol
LogP0.82
Rot. Bonds4

About 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide

3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide (PubChem CID 131687984) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide
PubChem CID131687984
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide
SMILESCCO[C@H]1CC2CC1CN2C(=O)c1cccnc1C(N)=O
InChIInChI=1S/C15H19N3O3/c1-2-21-12-7-10-6-9(12)8-18(10)15(20)11-4-3-5-17-13(11)14(16)19/h3-5,9-10,12H,2,6-8H2,1H3,(H2,16,19)/t9?,10?,12-/m0/s1
InChIKeyAMKVHUUPESLSQP-CBINBANVSA-N
XLogP0.82
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 136566907
3-[(1S,4R,5R)-5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptane-2-carbonyl]benzonitrile
CID 124784272
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 62159557
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
(2-methoxy-3-pyridinyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122270172
3-N-(2-hydroxyethyl)pyridine-2,3-dicarboxamide
CID 86150893
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 166315721
(1S,5S)-6-(2-ethoxypyridine-3-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133118590
3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 98779521

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide?
The IUPAC name of 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide (CID 131687984) is 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide is CCO[C@H]1CC2CC1CN2C(=O)c1cccnc1C(N)=O.
What is the InChIKey of 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide?
The InChIKey is AMKVHUUPESLSQP-CBINBANVSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-21-12-7-10-6-9(12)8-18(10)15(20)11-4-3-5-17-13(11)14(16)19/h3-5,9-10,12H,2,6-8H2,1H3,(H2,16,19)/t9?,10?,12-/m0/s1.
What are the key properties of 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide?
3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 131687984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).