4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

C20H23N3O2 — CID 37480846

IUPAC4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-13-25-18-8-6-17(7-9-18)20(24)22-15-16-5-10-19(21-14-16)23-11-3-4-12-23/h2,5-10,14H,1,3-4,11-13,15H2,(H,22,24)
InChIKeyPQHZQAQEURBFLR-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.18
Rot. Bonds7

About 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 37480846) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID37480846
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-13-25-18-8-6-17(7-9-18)20(24)22-15-16-5-10-19(21-14-16)23-11-3-4-12-23/h2,5-10,14H,1,3-4,11-13,15H2,(H,22,24)
InChIKeyPQHZQAQEURBFLR-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
1-prop-2-enyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36507156
ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 37481999
4-(4-acetylphenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38530939
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-4-phenoxybenzamide
CID 47050637
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100
4-pyrazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528681
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 16602299
4-chloro-N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butyl]benzamide
CID 37482931

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (CID 37480846) is 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is C=CCOc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is PQHZQAQEURBFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-13-25-18-8-6-17(7-9-18)20(24)22-15-16-5-10-19(21-14-16)23-11-3-4-12-23/h2,5-10,14H,1,3-4,11-13,15H2,(H,22,24).
What are the key properties of 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 37480846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).