N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide

C21H21N3O2 — CID 113032117

IUPACN-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
SMILESCc1ccc(Nc2ccc(NC(=O)COc3ccccc3)nc2)cc1C
InChIInChI=1S/C21H21N3O2/c1-15-8-9-17(12-16(15)2)23-18-10-11-20(22-13-18)24-21(25)14-26-19-6-4-3-5-7-19/h3-13,23H,14H2,1-2H3,(H,22,24,25)
InChIKeyQTOMJTCIKVFTMX-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.46
Rot. Bonds6

About N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide

N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide (PubChem CID 113032117) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
PubChem CID113032117
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
SMILESCc1ccc(Nc2ccc(NC(=O)COc3ccccc3)nc2)cc1C
InChIInChI=1S/C21H21N3O2/c1-15-8-9-17(12-16(15)2)23-18-10-11-20(22-13-18)24-21(25)14-26-19-6-4-3-5-7-19/h3-13,23H,14H2,1-2H3,(H,22,24,25)
InChIKeyQTOMJTCIKVFTMX-UHFFFAOYSA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-phenoxyacetamide
CID 113036240
2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide
CID 113017912
N-[5-(2-ethoxyanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113034277
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113033006
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047782
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113032043
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032048
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide (CID 113032117) is N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide is Cc1ccc(Nc2ccc(NC(=O)COc3ccccc3)nc2)cc1C.
What is the InChIKey of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide?
The InChIKey is QTOMJTCIKVFTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-8-9-17(12-16(15)2)23-18-10-11-20(22-13-18)24-21(25)14-26-19-6-4-3-5-7-19/h3-13,23H,14H2,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide?
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide has a molecular weight of 347.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 113032117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).