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

C22H23N3O2 — CID 113032043

IUPACN-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide
SMILESCc1ccc(C)c(Nc2ccc(NC(=O)CCOc3ccccc3)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-16-8-9-17(2)20(14-16)24-18-10-11-21(23-15-18)25-22(26)12-13-27-19-6-4-3-5-7-19/h3-11,14-15,24H,12-13H2,1-2H3,(H,23,25,26)
InChIKeySBVRHWSESFFRSB-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.85
Rot. Bonds7

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

N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide (PubChem CID 113032043) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide
PubChem CID113032043
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide
SMILESCc1ccc(C)c(Nc2ccc(NC(=O)CCOc3ccccc3)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-16-8-9-17(2)20(14-16)24-18-10-11-21(23-15-18)25-22(26)12-13-27-19-6-4-3-5-7-19/h3-11,14-15,24H,12-13H2,1-2H3,(H,23,25,26)
InChIKeySBVRHWSESFFRSB-UHFFFAOYSA-N
XLogP4.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032048
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032051
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113032117
tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
CID 113032056
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113036241
2-(3,4-dimethoxyphenyl)-N-[5-(2,5-dimethylanilino)-2-pyridinyl]acetamide
CID 113032044
3-(3,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47023614
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide?
The IUPAC name of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide (CID 113032043) is N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide is Cc1ccc(C)c(Nc2ccc(NC(=O)CCOc3ccccc3)nc2)c1.
What is the InChIKey of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide?
The InChIKey is SBVRHWSESFFRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-8-9-17(2)20(14-16)24-18-10-11-21(23-15-18)25-22(26)12-13-27-19-6-4-3-5-7-19/h3-11,14-15,24H,12-13H2,1-2H3,(H,23,25,26).
What are the key properties of N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide?
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide has a molecular weight of 361.45 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide is sourced from PubChem (CID 113032043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).