N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide

C28H25N3O3 — CID 155968552

IUPACN-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C28H25N3O3/c1-31(19-21-10-4-2-5-11-21)28(33)23-16-17-26(29-18-23)30-27(32)20-34-25-15-9-8-14-24(25)22-12-6-3-7-13-22/h2-18H,19-20H2,1H3,(H,29,30,32)
InChIKeyRBQPIGAYIKQVGJ-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.04
Rot. Bonds8

About N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide

N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide (PubChem CID 155968552) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide
PubChem CID155968552
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC NameN-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C28H25N3O3/c1-31(19-21-10-4-2-5-11-21)28(33)23-16-17-26(29-18-23)30-27(32)20-34-25-15-9-8-14-24(25)22-12-6-3-7-13-22/h2-18H,19-20H2,1H3,(H,29,30,32)
InChIKeyRBQPIGAYIKQVGJ-UHFFFAOYSA-N
XLogP5.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156396
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
N-(5-methyl-2-pyridinyl)-3-(2-phenylphenoxy)propanamide
CID 52710581
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-(2-phenylphenoxy)acetamide
CID 8794949
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
CID 109156379
N-[4-(2-hydroxyethyl)phenyl]-2-(2-phenylphenoxy)acetamide
CID 110906499
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
5-N-benzyl-5-N-methylpyridine-2,5-dicarboxamide
CID 47460377
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109156352
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide (CID 155968552) is N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)nc1.
What is the InChIKey of N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide?
The InChIKey is RBQPIGAYIKQVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-31(19-21-10-4-2-5-11-21)28(33)23-16-17-26(29-18-23)30-27(32)20-34-25-15-9-8-14-24(25)22-12-6-3-7-13-22/h2-18H,19-20H2,1H3,(H,29,30,32).
What are the key properties of N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide?
N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-[[2-(2-phenylphenoxy)acetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 155968552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).