1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide

C25H28N4O3 — CID 55970974

IUPAC1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)CCCOc3cccc4ccccc34)cn2)C1
InChIInChI=1S/C25H28N4O3/c26-25(31)19-8-4-14-29(17-19)23-13-12-20(16-27-23)28-24(30)11-5-15-32-22-10-3-7-18-6-1-2-9-21(18)22/h1-3,6-7,9-10,12-13,16,19H,4-5,8,11,14-15,17H2,(H2,26,31)(H,28,30)
InChIKeyGFDLZQMQIULBMS-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.73
Rot. Bonds8

About 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide

1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55970974) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55970974
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)CCCOc3cccc4ccccc34)cn2)C1
InChIInChI=1S/C25H28N4O3/c26-25(31)19-8-4-14-29(17-19)23-13-12-20(16-27-23)28-24(30)11-5-15-32-22-10-3-7-18-6-1-2-9-21(18)22/h1-3,6-7,9-10,12-13,16,19H,4-5,8,11,14-15,17H2,(H2,26,31)(H,28,30)
InChIKeyGFDLZQMQIULBMS-UHFFFAOYSA-N
XLogP3.73
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.73
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

1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971095
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55969957
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759
1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700912
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200
1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700880
1-[5-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700978
1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967771
1-[5-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701217
1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701099

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide (CID 55970974) is 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)CCCOc3cccc4ccccc34)cn2)C1.
What is the InChIKey of 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is GFDLZQMQIULBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c26-25(31)19-8-4-14-29(17-19)23-13-12-20(16-27-23)28-24(30)11-5-15-32-22-10-3-7-18-6-1-2-9-21(18)22/h1-3,6-7,9-10,12-13,16,19H,4-5,8,11,14-15,17H2,(H2,26,31)(H,28,30).
What are the key properties of 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide?
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55970974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).