N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide

C26H22N2O3 — CID 173468677

IUPACN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cn2)c1C
InChIInChI=1S/C26H22N2O3/c1-18-7-6-10-24(19(18)2)31-25-16-13-21(17-27-25)28-26(29)20-11-14-23(15-12-20)30-22-8-4-3-5-9-22/h3-17H,1-2H3,(H,28,29)
InChIKeyOWGWDMOJCUQZKY-UHFFFAOYSA-N
MW410.47 g/mol
LogP6.54
Rot. Bonds6

About N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide

N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide (PubChem CID 173468677) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
PubChem CID173468677
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cn2)c1C
InChIInChI=1S/C26H22N2O3/c1-18-7-6-10-24(19(18)2)31-25-16-13-21(17-27-25)28-26(29)20-11-14-23(15-12-20)30-22-8-4-3-5-9-22/h3-17H,1-2H3,(H,28,29)
InChIKeyOWGWDMOJCUQZKY-UHFFFAOYSA-N
XLogP6.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[3-methyl-4-[[5-[(4-phenoxybenzoyl)amino]-2-pyridinyl]oxy]phenyl]carbamate
CID 140618549
(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
N-[6-(dimethylamino)-3-pyridinyl]-4-phenoxybenzamide
CID 30273384
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108
N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021208
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]naphthalene-2-carboxamide
CID 18419514
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide?
The IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide (CID 173468677) is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide?
The canonical SMILES for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide is Cc1cccc(Oc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cn2)c1C.
What is the InChIKey of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide?
The InChIKey is OWGWDMOJCUQZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-18-7-6-10-24(19(18)2)31-25-16-13-21(17-27-25)28-26(29)20-11-14-23(15-12-20)30-22-8-4-3-5-9-22/h3-17H,1-2H3,(H,28,29).
What are the key properties of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide?
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide has a molecular weight of 410.47 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide is sourced from PubChem (CID 173468677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).