N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide

C16H22FN3O — CID 123342907

IUPACN-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide
SMILESCCNC12CCCC(NC(=O)c3ccc(F)cn3)(CC1)C2
InChIInChI=1S/C16H22FN3O/c1-2-19-15-6-3-7-16(11-15,9-8-15)20-14(21)13-5-4-12(17)10-18-13/h4-5,10,19H,2-3,6-9,11H2,1H3,(H,20,21)
InChIKeyHIYZITBBRYABCQ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.41
Rot. Bonds4

About N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide

N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide (PubChem CID 123342907) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide
PubChem CID123342907
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide
SMILESCCNC12CCCC(NC(=O)c3ccc(F)cn3)(CC1)C2
InChIInChI=1S/C16H22FN3O/c1-2-19-15-6-3-7-16(11-15,9-8-15)20-14(21)13-5-4-12(17)10-18-13/h4-5,10,19H,2-3,6-9,11H2,1H3,(H,20,21)
InChIKeyHIYZITBBRYABCQ-UHFFFAOYSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide (CID 123342907) is N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide is CCNC12CCCC(NC(=O)c3ccc(F)cn3)(CC1)C2.
What is the InChIKey of N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is HIYZITBBRYABCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-2-19-15-6-3-7-16(11-15,9-8-15)20-14(21)13-5-4-12(17)10-18-13/h4-5,10,19H,2-3,6-9,11H2,1H3,(H,20,21).
What are the key properties of N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide?
N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 123342907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).