N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide

C14H12F2N2O2 — CID 110481998

IUPACN-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOc1cc(F)cc(F)c1)c1cccnc1
InChIInChI=1S/C14H12F2N2O2/c15-11-6-12(16)8-13(7-11)20-5-4-18-14(19)10-2-1-3-17-9-10/h1-3,6-9H,4-5H2,(H,18,19)
InChIKeyNYGVZGMQDGKUIE-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide

N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 110481998) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
PubChem CID110481998
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOc1cc(F)cc(F)c1)c1cccnc1
InChIInChI=1S/C14H12F2N2O2/c15-11-6-12(16)8-13(7-11)20-5-4-18-14(19)10-2-1-3-17-9-10/h1-3,6-9H,4-5H2,(H,18,19)
InChIKeyNYGVZGMQDGKUIE-UHFFFAOYSA-N
XLogP2.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
CID 86859541
N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 56612978
2-(pyridine-3-carbonylamino)ethyl nitrate;hydrochloride
CID 3017561
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
2-(pyridine-3-carbonylamino)ethyl 3-methoxybenzoate chloride
CID 21236630
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111004866
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide
CID 7303331

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide (CID 110481998) is N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide is O=C(NCCOc1cc(F)cc(F)c1)c1cccnc1.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is NYGVZGMQDGKUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-11-6-12(16)8-13(7-11)20-5-4-18-14(19)10-2-1-3-17-9-10/h1-3,6-9H,4-5H2,(H,18,19).
What are the key properties of N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide?
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 278.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110481998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).