N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide

C19H26N4O2 — CID 113025743

IUPACN-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
SMILESCN(C)CCCNc1ccc(NC(=O)CCOc2ccccc2)nc1
InChIInChI=1S/C19H26N4O2/c1-23(2)13-6-12-20-16-9-10-18(21-15-16)22-19(24)11-14-25-17-7-4-3-5-8-17/h3-5,7-10,15,20H,6,11-14H2,1-2H3,(H,21,22,24)
InChIKeySGWASMQTGVSTMZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.85
Rot. Bonds10

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

N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide (PubChem CID 113025743) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
PubChem CID113025743
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
SMILESCN(C)CCCNc1ccc(NC(=O)CCOc2ccccc2)nc1
InChIInChI=1S/C19H26N4O2/c1-23(2)13-6-12-20-16-9-10-18(21-15-16)22-19(24)11-14-25-17-7-4-3-5-8-17/h3-5,7-10,15,20H,6,11-14H2,1-2H3,(H,21,22,24)
InChIKeySGWASMQTGVSTMZ-UHFFFAOYSA-N
XLogP2.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.85
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-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
4-[[5-[3-(dimethylamino)propylamino]-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187475
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113031674
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pentanamide
CID 113025485
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113032043
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478
4-[[5-(3-methoxypropylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187377
4-bromo-N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]benzamide
CID 113025721
N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113017972

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide?
The IUPAC name of N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide (CID 113025743) is N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide is CN(C)CCCNc1ccc(NC(=O)CCOc2ccccc2)nc1.
What is the InChIKey of N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide?
The InChIKey is SGWASMQTGVSTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-23(2)13-6-12-20-16-9-10-18(21-15-16)22-19(24)11-14-25-17-7-4-3-5-8-17/h3-5,7-10,15,20H,6,11-14H2,1-2H3,(H,21,22,24).
What are the key properties of N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide?
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide has a molecular weight of 342.44 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide is sourced from PubChem (CID 113025743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).