N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide

C20H23FN2O4 — CID 121017381

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1ccnc(OCC2CCOCC2)c1
InChIInChI=1S/C20H23FN2O4/c21-17-1-3-18(4-2-17)26-12-9-23-20(24)16-5-8-22-19(13-16)27-14-15-6-10-25-11-7-15/h1-5,8,13,15H,6-7,9-12,14H2,(H,23,24)
InChIKeyTWDCTVGKCNLPFM-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.83
Rot. Bonds8

About N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide (PubChem CID 121017381) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide
PubChem CID121017381
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1ccnc(OCC2CCOCC2)c1
InChIInChI=1S/C20H23FN2O4/c21-17-1-3-18(4-2-17)26-12-9-23-20(24)16-5-8-22-19(13-16)27-14-15-6-10-25-11-7-15/h1-5,8,13,15H,6-7,9-12,14H2,(H,23,24)
InChIKeyTWDCTVGKCNLPFM-UHFFFAOYSA-N
XLogP2.83
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 121017397
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 121017408
2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787041
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide
CID 124891971
2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 115116142
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[2-(4-fluorophenoxy)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 46599885
2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 117084087
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide (CID 121017381) is N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide is O=C(NCCOc1ccc(F)cc1)c1ccnc(OCC2CCOCC2)c1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide?
The InChIKey is TWDCTVGKCNLPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c21-17-1-3-18(4-2-17)26-12-9-23-20(24)16-5-8-22-19(13-16)27-14-15-6-10-25-11-7-15/h1-5,8,13,15H,6-7,9-12,14H2,(H,23,24).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide is sourced from PubChem (CID 121017381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).