3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide

C15H21FN4O — CID 86800008

IUPAC3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
SMILESCCN1CCC2CCC(C1)N2C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C15H21FN4O/c1-2-19-8-7-12-4-5-13(10-19)20(12)15(21)18-14-6-3-11(16)9-17-14/h3,6,9,12-13H,2,4-5,7-8,10H2,1H3,(H,17,18,21)
InChIKeyKFJDKIUKQFIKQN-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.31
Rot. Bonds2

About 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide

3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide (PubChem CID 86800008) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
PubChem CID86800008
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
SMILESCCN1CCC2CCC(C1)N2C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C15H21FN4O/c1-2-19-8-7-12-4-5-13(10-19)20(12)15(21)18-14-6-3-11(16)9-17-14/h3,6,9,12-13H,2,4-5,7-8,10H2,1H3,(H,17,18,21)
InChIKeyKFJDKIUKQFIKQN-UHFFFAOYSA-N
XLogP2.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
N-(2-cyano-4-fluorophenyl)-2-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-oxoacetamide
CID 86805128
(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 99598686
2-[4-[(5-fluoro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 61311404
(2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone
CID 71860212
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 154764943
2-amino-1-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 119900077
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
1-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(5-fluoro-2-pyridinyl)urea
CID 99595837
tert-butyl N-[1-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 166226334
2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128998901

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
The IUPAC name of 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide (CID 86800008) is 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide.
What is the SMILES notation for 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
The canonical SMILES for 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide is CCN1CCC2CCC(C1)N2C(=O)Nc1ccc(F)cn1.
What is the InChIKey of 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
The InChIKey is KFJDKIUKQFIKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-2-19-8-7-12-4-5-13(10-19)20(12)15(21)18-14-6-3-11(16)9-17-14/h3,6,9,12-13H,2,4-5,7-8,10H2,1H3,(H,17,18,21).
What are the key properties of 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide?
3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide is sourced from PubChem (CID 86800008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).