4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide

C21H27N3O2 — CID 37313546

IUPAC4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide
SMILESCc1ccccc1OCCCC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-7-2-3-8-19(17)26-14-6-9-21(25)23-16-18-10-11-22-20(15-18)24-12-4-5-13-24/h2-3,7-8,10-11,15H,4-6,9,12-14,16H2,1H3,(H,23,25)
InChIKeyAZXWUCQKUYOFOD-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.47
Rot. Bonds8

About 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide

4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide (PubChem CID 37313546) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide
PubChem CID37313546
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide
SMILESCc1ccccc1OCCCC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-7-2-3-8-19(17)26-14-6-9-21(25)23-16-18-10-11-22-20(15-18)24-12-4-5-13-24/h2-3,7-8,10-11,15H,4-6,9,12-14,16H2,1H3,(H,23,25)
InChIKeyAZXWUCQKUYOFOD-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 47925567
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
N-[(2-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185909
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide
CID 55911750
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 55534225
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
2-hydroxy-2-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 111432227
4-(2,4-dichlorophenoxy)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585405
2-(2-methoxyethylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119841580
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide (CID 37313546) is 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide is Cc1ccccc1OCCCC(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide?
The InChIKey is AZXWUCQKUYOFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-7-2-3-8-19(17)26-14-6-9-21(25)23-16-18-10-11-22-20(15-18)24-12-4-5-13-24/h2-3,7-8,10-11,15H,4-6,9,12-14,16H2,1H3,(H,23,25).
What are the key properties of 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide?
4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide has a molecular weight of 353.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide is sourced from PubChem (CID 37313546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).