1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone

C15H23N3O — CID 102540287

IUPAC1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCCCCNc1ccc(C2CCCN2C(C)=O)cn1
InChIInChI=1S/C15H23N3O/c1-3-4-9-16-15-8-7-13(11-17-15)14-6-5-10-18(14)12(2)19/h7-8,11,14H,3-6,9-10H2,1-2H3,(H,16,17)
InChIKeyHFDBGJQQGWYMFT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone

1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 102540287) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID102540287
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCCCCNc1ccc(C2CCCN2C(C)=O)cn1
InChIInChI=1S/C15H23N3O/c1-3-4-9-16-15-8-7-13(11-17-15)14-6-5-10-18(14)12(2)19/h7-8,11,14H,3-6,9-10H2,1-2H3,(H,16,17)
InChIKeyHFDBGJQQGWYMFT-UHFFFAOYSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
CID 102540283
tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540097
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540049
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
CID 139915367
tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540161
[2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102540166
1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102541564
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone (CID 102540287) is 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone is CCCCNc1ccc(C2CCCN2C(C)=O)cn1.
What is the InChIKey of 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is HFDBGJQQGWYMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-4-9-16-15-8-7-13(11-17-15)14-6-5-10-18(14)12(2)19/h7-8,11,14H,3-6,9-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone?
1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102540287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).