[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C14H21N3O2 — CID 109225504

IUPAC[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOCCCNc1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H21N3O2/c1-19-8-4-5-16-13-9-12(10-15-11-13)14(18)17-6-2-3-7-17/h9-11,16H,2-8H2,1H3
InChIKeyXNKVMSYNRLXGJW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.77
Rot. Bonds6

About [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109225504) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109225504
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOCCCNc1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H21N3O2/c1-19-8-4-5-16-13-9-12(10-15-11-13)14(18)17-6-2-3-7-17/h9-11,16H,2-8H2,1H3
InChIKeyXNKVMSYNRLXGJW-UHFFFAOYSA-N
XLogP1.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109224538
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
CID 109228260
5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223169
(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227858
[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109225122
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227890
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227873

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109225504) is [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is COCCCNc1cncc(C(=O)N2CCCC2)c1.
What is the InChIKey of [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XNKVMSYNRLXGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-8-4-5-16-13-9-12(10-15-11-13)14(18)17-6-2-3-7-17/h9-11,16H,2-8H2,1H3.
What are the key properties of [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 263.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109225504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).