N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide

C23H23FN2O3 — CID 60567032

IUPACN-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C23H23FN2O3/c1-26(14-5-15-28-21-10-8-20(24)9-11-21)23(27)19-12-13-25-22(16-19)29-17-18-6-3-2-4-7-18/h2-4,6-13,16H,5,14-15,17H2,1H3
InChIKeyBBEYHTQGLMDKMT-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.34
Rot. Bonds9

About N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide

N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide (PubChem CID 60567032) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide
PubChem CID60567032
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C23H23FN2O3/c1-26(14-5-15-28-21-10-8-20(24)9-11-21)23(27)19-12-13-25-22(16-19)29-17-18-6-3-2-4-7-18/h2-4,6-13,16H,5,14-15,17H2,1H3
InChIKeyBBEYHTQGLMDKMT-UHFFFAOYSA-N
XLogP4.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-phenylmethoxypyridine-4-carboxamide
CID 110902872
N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 122159861
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid
CID 120529904
N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46443034
2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 46440106
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
CID 64524057
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide (CID 60567032) is N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide is CN(CCCOc1ccc(F)cc1)C(=O)c1ccnc(OCc2ccccc2)c1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide?
The InChIKey is BBEYHTQGLMDKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-26(14-5-15-28-21-10-8-20(24)9-11-21)23(27)19-12-13-25-22(16-19)29-17-18-6-3-2-4-7-18/h2-4,6-13,16H,5,14-15,17H2,1H3.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide?
N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 60567032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).