N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide

C16H23N3O — CID 102821254

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
SMILESCCCCCCCC(=O)Nc1cc(C#CCN)ccn1
InChIInChI=1S/C16H23N3O/c1-2-3-4-5-6-9-16(20)19-15-13-14(8-7-11-17)10-12-18-15/h10,12-13H,2-6,9,11,17H2,1H3,(H,18,19,20)
InChIKeyPHCBENMXDKABFZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds7

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide (PubChem CID 102821254) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
PubChem CID102821254
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
SMILESCCCCCCCC(=O)Nc1cc(C#CCN)ccn1
InChIInChI=1S/C16H23N3O/c1-2-3-4-5-6-9-16(20)19-15-13-14(8-7-11-17)10-12-18-15/h10,12-13H,2-6,9,11,17H2,1H3,(H,18,19,20)
InChIKeyPHCBENMXDKABFZ-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
CID 102821357
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
CID 102821250
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide
CID 62909232
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
CID 107690785
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide
CID 82750402
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]heptanamide
CID 114753360
4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821220
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide (CID 102821254) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide is CCCCCCCC(=O)Nc1cc(C#CCN)ccn1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide?
The InChIKey is PHCBENMXDKABFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-4-5-6-9-16(20)19-15-13-14(8-7-11-17)10-12-18-15/h10,12-13H,2-6,9,11,17H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide has a molecular weight of 273.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide is sourced from PubChem (CID 102821254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).