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

C18H23N3O2 — CID 113023996

IUPACN-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
SMILESCCCCNc1ccc(NC(=O)CCOc2ccccc2)nc1
InChIInChI=1S/C18H23N3O2/c1-2-3-12-19-15-9-10-17(20-14-15)21-18(22)11-13-23-16-7-5-4-6-8-16/h4-10,14,19H,2-3,11-13H2,1H3,(H,20,21,22)
InChIKeySBOWFUFCVVWHBL-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.70
Rot. Bonds9

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

N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide (PubChem CID 113023996) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
PubChem CID113023996
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
SMILESCCCCNc1ccc(NC(=O)CCOc2ccccc2)nc1
InChIInChI=1S/C18H23N3O2/c1-2-3-12-19-15-9-10-17(20-14-15)21-18(22)11-13-23-16-7-5-4-6-8-16/h4-10,14,19H,2-3,11-13H2,1H3,(H,20,21,22)
InChIKeySBOWFUFCVVWHBL-UHFFFAOYSA-N
XLogP3.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
CID 113024016
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113032043
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113031674
N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113017972
2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
CID 39178282
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pentanamide
CID 113025485
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide?
The IUPAC name of N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide (CID 113023996) is N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide is CCCCNc1ccc(NC(=O)CCOc2ccccc2)nc1.
What is the InChIKey of N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide?
The InChIKey is SBOWFUFCVVWHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-3-12-19-15-9-10-17(20-14-15)21-18(22)11-13-23-16-7-5-4-6-8-16/h4-10,14,19H,2-3,11-13H2,1H3,(H,20,21,22).
What are the key properties of N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide?
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide is sourced from PubChem (CID 113023996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).