4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide

C21H27N3O3 — CID 32948152

IUPAC4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C21H27N3O3/c1-2-26-18-8-3-4-9-19(18)27-15-7-10-21(25)23-20-12-11-17(16-22-20)24-13-5-6-14-24/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3,(H,22,23,25)
InChIKeyVPNVISZAZGUXHV-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.88
Rot. Bonds9

About 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide

4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide (PubChem CID 32948152) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
PubChem CID32948152
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C21H27N3O3/c1-2-26-18-8-3-4-9-19(18)27-15-7-10-21(25)23-20-12-11-17(16-22-20)24-13-5-6-14-24/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3,(H,22,23,25)
InChIKeyVPNVISZAZGUXHV-UHFFFAOYSA-N
XLogP3.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 39072386
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]pentanamide
CID 113029615
4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide
CID 7638259
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
3-(3,4-dimethoxyphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)propanamide
CID 32946707
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]pentanamide
CID 113030633
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
CID 112832993
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 32948870
2-(2-methoxyethylamino)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide;dihydrochloride
CID 119855694

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide (CID 32948152) is 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide is CCOc1ccccc1OCCCC(=O)Nc1ccc(N2CCCC2)cn1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
The InChIKey is VPNVISZAZGUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-26-18-8-3-4-9-19(18)27-15-7-10-21(25)23-20-12-11-17(16-22-20)24-13-5-6-14-24/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3,(H,22,23,25).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide has a molecular weight of 369.47 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide is sourced from PubChem (CID 32948152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).