4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide

C15H22N4O — CID 61234100

IUPAC4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2C3CCC2CC(N)C3)ccn1
InChIInChI=1S/C15H22N4O/c1-2-17-15(20)14-9-13(5-6-18-14)19-11-3-4-12(19)8-10(16)7-11/h5-6,9-12H,2-4,7-8,16H2,1H3,(H,17,20)
InChIKeyKNTVYIJQHGAOBM-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.29
Rot. Bonds3

About 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide

4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide (PubChem CID 61234100) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide
PubChem CID61234100
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2C3CCC2CC(N)C3)ccn1
InChIInChI=1S/C15H22N4O/c1-2-17-15(20)14-9-13(5-6-18-14)19-11-3-4-12(19)8-10(16)7-11/h5-6,9-12H,2-4,7-8,16H2,1H3,(H,17,20)
InChIKeyKNTVYIJQHGAOBM-UHFFFAOYSA-N
XLogP1.29
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
1-[2-(ethylcarbamoyl)-4-pyridinyl]-2-methylpiperidine-4-carboxylic acid
CID 106742554
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
4-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63766258
1-[2-(ethylcarbamoyl)-4-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 63124697
4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid
CID 82901293
4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 97028948
1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146961

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide (CID 61234100) is 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(N2C3CCC2CC(N)C3)ccn1.
What is the InChIKey of 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide?
The InChIKey is KNTVYIJQHGAOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-17-15(20)14-9-13(5-6-18-14)19-11-3-4-12(19)8-10(16)7-11/h5-6,9-12H,2-4,7-8,16H2,1H3,(H,17,20).
What are the key properties of 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide?
4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 61234100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).