N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide

C31H25N3O2 — CID 150187824

IUPACN-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide
SMILESCNc1ccc(Oc2ccc(NC(=O)c3ccccc3-c3ccc(-c4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C31H25N3O2/c1-32-25-15-18-27(19-16-25)36-30-20-17-26(21-33-30)34-31(35)29-10-6-5-9-28(29)24-13-11-23(12-14-24)22-7-3-2-4-8-22/h2-21,32H,1H3,(H,34,35)
InChIKeyFMULGPWRUKEAHX-UHFFFAOYSA-N
MW471.56 g/mol
LogP7.50
Rot. Bonds7

About N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide

N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide (PubChem CID 150187824) has the molecular formula C31H25N3O2 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide.

Molecular Properties

Compound NameN-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide
PubChem CID150187824
Molecular FormulaC31H25N3O2
Molecular Weight471.56 g/mol
Exact Mass471.19
IUPAC NameN-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide
SMILESCNc1ccc(Oc2ccc(NC(=O)c3ccccc3-c3ccc(-c4ccccc4)cc3)cn2)cc1
InChIInChI=1S/C31H25N3O2/c1-32-25-15-18-27(19-16-25)36-30-20-17-26(21-33-30)34-31(35)29-10-6-5-9-28(29)24-13-11-23(12-14-24)22-7-3-2-4-8-22/h2-21,32H,1H3,(H,34,35)
InChIKeyFMULGPWRUKEAHX-UHFFFAOYSA-N
XLogP7.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55635479
2-[bis(4-hydroxyphenyl)methyl]-N-[6-(4-tert-butylphenoxy)-3-pyridinyl]benzamide
CID 15296786
4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47789215
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166200539
2-methoxy-N-[6-(3-methylphenoxy)-3-pyridinyl]benzamide
CID 42878441
1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-3-ylpyrazole-5-carboxamide
CID 166377453
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
CID 173468677
N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-2-methoxybenzamide
CID 42878469
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide?
The IUPAC name of N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide (CID 150187824) is N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide.
What is the SMILES notation for N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide?
The canonical SMILES for N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide is CNc1ccc(Oc2ccc(NC(=O)c3ccccc3-c3ccc(-c4ccccc4)cc3)cn2)cc1.
What is the InChIKey of N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide?
The InChIKey is FMULGPWRUKEAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O2/c1-32-25-15-18-27(19-16-25)36-30-20-17-26(21-33-30)34-31(35)29-10-6-5-9-28(29)24-13-11-23(12-14-24)22-7-3-2-4-8-22/h2-21,32H,1H3,(H,34,35).
What are the key properties of N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide?
N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide has a molecular weight of 471.56 g/mol, XLogP of 7.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(methylamino)phenoxy]-3-pyridinyl]-2-(4-phenylphenyl)benzamide is sourced from PubChem (CID 150187824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).