N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide

C14H17ClFN3O — CID 146102003

IUPACN-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide
SMILESO=C(Nc1cnc(Cl)c(F)c1)N1CCC2(CCCC2)C1
InChIInChI=1S/C14H17ClFN3O/c15-12-11(16)7-10(8-17-12)18-13(20)19-6-5-14(9-19)3-1-2-4-14/h7-8H,1-6,9H2,(H,18,20)
InChIKeyCMQPDOAQRWHKER-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.67
Rot. Bonds1

About N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide

N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide (PubChem CID 146102003) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide
PubChem CID146102003
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC NameN-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide
SMILESO=C(Nc1cnc(Cl)c(F)c1)N1CCC2(CCCC2)C1
InChIInChI=1S/C14H17ClFN3O/c15-12-11(16)7-10(8-17-12)18-13(20)19-6-5-14(9-19)3-1-2-4-14/h7-8H,1-6,9H2,(H,18,20)
InChIKeyCMQPDOAQRWHKER-UHFFFAOYSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide (CID 146102003) is N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide is O=C(Nc1cnc(Cl)c(F)c1)N1CCC2(CCCC2)C1.
What is the InChIKey of N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide?
The InChIKey is CMQPDOAQRWHKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c15-12-11(16)7-10(8-17-12)18-13(20)19-6-5-14(9-19)3-1-2-4-14/h7-8H,1-6,9H2,(H,18,20).
What are the key properties of N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide?
N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide has a molecular weight of 297.76 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-fluoro-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 146102003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).