N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide

C18H23N3O3 — CID 113010486

IUPACN-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
SMILESCOCCCNc1ccc(NC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C18H23N3O3/c1-23-12-5-11-19-17-9-8-15(14-20-17)21-18(22)10-13-24-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyTZUQAQKLFNLZJR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.94
Rot. Bonds10

About N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide

N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide (PubChem CID 113010486) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
PubChem CID113010486
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
SMILESCOCCCNc1ccc(NC(=O)CCOc2ccccc2)cn1
InChIInChI=1S/C18H23N3O3/c1-23-12-5-11-19-17-9-8-15(14-20-17)21-18(22)10-13-24-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyTZUQAQKLFNLZJR-UHFFFAOYSA-N
XLogP2.94
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703
4-[[5-(3-methoxypropylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187377
3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
CID 113012923
N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113017972
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide?
The IUPAC name of N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide (CID 113010486) is N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide?
The canonical SMILES for N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide is COCCCNc1ccc(NC(=O)CCOc2ccccc2)cn1.
What is the InChIKey of N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide?
The InChIKey is TZUQAQKLFNLZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-12-5-11-19-17-9-8-15(14-20-17)21-18(22)10-13-24-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide?
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide has a molecular weight of 329.40 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide is sourced from PubChem (CID 113010486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).