N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide

C21H21N3O2 — CID 113031674

IUPACN-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
SMILESCN(c1ccccc1)c1ccc(NC(=O)CCOc2ccccc2)nc1
InChIInChI=1S/C21H21N3O2/c1-24(17-8-4-2-5-9-17)18-12-13-20(22-16-18)23-21(25)14-15-26-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,22,23,25)
InChIKeyLBQBUKZJGLHPPZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.26
Rot. Bonds7

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

N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide (PubChem CID 113031674) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
PubChem CID113031674
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
SMILESCN(c1ccccc1)c1ccc(NC(=O)CCOc2ccccc2)nc1
InChIInChI=1S/C21H21N3O2/c1-24(17-8-4-2-5-9-17)18-12-13-20(22-16-18)23-21(25)14-15-26-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,22,23,25)
InChIKeyLBQBUKZJGLHPPZ-UHFFFAOYSA-N
XLogP4.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(N-methylanilino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187725
N-[5-(N-methylanilino)-2-pyridinyl]pentanamide
CID 113031639
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
2-(3-fluorophenyl)-N-[5-(N-methylanilino)-2-pyridinyl]acetamide
CID 113031689
1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113031703
N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113017972
N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
CID 113044277
N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide
CID 65098554
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752

Frequently Asked Questions

What is the IUPAC name of N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide?
The IUPAC name of N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide (CID 113031674) is N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide is CN(c1ccccc1)c1ccc(NC(=O)CCOc2ccccc2)nc1.
What is the InChIKey of N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide?
The InChIKey is LBQBUKZJGLHPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24(17-8-4-2-5-9-17)18-12-13-20(22-16-18)23-21(25)14-15-26-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,22,23,25).
What are the key properties of N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide?
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide has a molecular weight of 347.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide is sourced from PubChem (CID 113031674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).