N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide

C24H27N3O2 — CID 113017972

IUPACN-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
SMILESCCc1cccc(CC)c1Nc1ccc(NC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C24H27N3O2/c1-3-18-9-8-10-19(4-2)24(18)27-22-14-13-20(17-25-22)26-23(28)15-16-29-21-11-6-5-7-12-21/h5-14,17H,3-4,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDFFZYBOBAPBAOO-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.36
Rot. Bonds9

About N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide

N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide (PubChem CID 113017972) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
PubChem CID113017972
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
SMILESCCc1cccc(CC)c1Nc1ccc(NC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C24H27N3O2/c1-3-18-9-8-10-19(4-2)24(18)27-22-14-13-20(17-25-22)26-23(28)15-16-29-21-11-6-5-7-12-21/h5-14,17H,3-4,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDFFZYBOBAPBAOO-UHFFFAOYSA-N
XLogP5.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,6-diethylanilino)-3-pyridinyl]benzamide
CID 113017964
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113019106
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113031674
3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
CID 113012923
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]benzamide
CID 113017656
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478
2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide
CID 113017912
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide?
The IUPAC name of N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide (CID 113017972) is N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide?
The canonical SMILES for N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide is CCc1cccc(CC)c1Nc1ccc(NC(=O)CCOc2ccccc2)cn1.
What is the InChIKey of N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide?
The InChIKey is DFFZYBOBAPBAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-18-9-8-10-19(4-2)24(18)27-22-14-13-20(17-25-22)26-23(28)15-16-29-21-11-6-5-7-12-21/h5-14,17H,3-4,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide?
N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide has a molecular weight of 389.50 g/mol, XLogP of 5.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide is sourced from PubChem (CID 113017972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).