3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

C23H25N3O2 — CID 90621287

IUPAC3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESCOc1ccc2ccccc2c1CCC(=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C23H25N3O2/c1-28-21-11-9-17-6-2-3-7-19(17)20(21)10-12-23(27)25-18-13-15-26(16-18)22-8-4-5-14-24-22/h2-9,11,14,18H,10,12-13,15-16H2,1H3,(H,25,27)
InChIKeyCKZJYIRDSRBTBZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.57
Rot. Bonds6

About 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (PubChem CID 90621287) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
PubChem CID90621287
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESCOc1ccc2ccccc2c1CCC(=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C23H25N3O2/c1-28-21-11-9-17-6-2-3-7-19(17)20(21)10-12-23(27)25-18-13-15-26(16-18)22-8-4-5-14-24-22/h2-9,11,14,18H,10,12-13,15-16H2,1H3,(H,25,27)
InChIKeyCKZJYIRDSRBTBZ-UHFFFAOYSA-N
XLogP3.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621291
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
CID 110026123
2-(2,5-dimethoxyphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 78876192
7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 99715119
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide
CID 99875625
2-indol-1-yl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99697341
3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621306
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide
CID 90621313

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (CID 90621287) is 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is COc1ccc2ccccc2c1CCC(=O)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The InChIKey is CKZJYIRDSRBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-21-11-9-17-6-2-3-7-19(17)20(21)10-12-23(27)25-18-13-15-26(16-18)22-8-4-5-14-24-22/h2-9,11,14,18H,10,12-13,15-16H2,1H3,(H,25,27).
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide has a molecular weight of 375.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 90621287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).