N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide

C21H20N2O4 — CID 87001108

IUPACN-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C21H20N2O4/c1-25-13-14-26-18-10-8-17(9-11-18)23-21(24)16-7-12-20(22-15-16)27-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyQDNKWYLGXVECMN-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.15
Rot. Bonds8

About N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide

N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 87001108) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
PubChem CID87001108
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C21H20N2O4/c1-25-13-14-26-18-10-8-17(9-11-18)23-21(24)16-7-12-20(22-15-16)27-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyQDNKWYLGXVECMN-UHFFFAOYSA-N
XLogP4.15
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.15
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

4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-phenoxypyridine-3-carboxamide
CID 47046694
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78888482

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide (CID 87001108) is N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide is COCCOc1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is QDNKWYLGXVECMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-13-14-26-18-10-8-17(9-11-18)23-21(24)16-7-12-20(22-15-16)27-19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,23,24).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide?
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 87001108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).