N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H16F3N3O2 — CID 138010898

IUPACN-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCNC12CCC2)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-6-8(7-18-12(9)22)11(21)20-10-2-5-19-13(10)3-1-4-13/h6-7,10,19H,1-5H2,(H,18,22)(H,20,21)
InChIKeyQNMSPPBNOULIGH-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.41
Rot. Bonds2

About N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 138010898) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID138010898
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC NameN-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCNC12CCC2)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)9-6-8(7-18-12(9)22)11(21)20-10-2-5-19-13(10)3-1-4-13/h6-7,10,19H,1-5H2,(H,18,22)(H,20,21)
InChIKeyQNMSPPBNOULIGH-UHFFFAOYSA-N
XLogP1.41
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 138010898) is N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCNC12CCC2)c1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QNMSPPBNOULIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)9-6-8(7-18-12(9)22)11(21)20-10-2-5-19-13(10)3-1-4-13/h6-7,10,19H,1-5H2,(H,18,22)(H,20,21).
What are the key properties of N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.4]octan-8-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138010898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).