3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide

C18H21N3O — CID 30583465

IUPAC3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCc1cccnc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H21N3O/c22-18(10-9-15-6-5-11-19-14-15)20-16-7-1-2-8-17(16)21-12-3-4-13-21/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,20,22)
InChIKeyJDKUAVYKYVRVNS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.25
Rot. Bonds5

About 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide

3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 30583465) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
PubChem CID30583465
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCc1cccnc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H21N3O/c22-18(10-9-15-6-5-11-19-14-15)20-16-7-1-2-8-17(16)21-12-3-4-13-21/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,20,22)
InChIKeyJDKUAVYKYVRVNS-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 35359122
4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 158464067
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30752050
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
N-methyl-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 34754830
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
CID 43167914
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide (CID 30583465) is 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide is O=C(CCc1cccnc1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is JDKUAVYKYVRVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(10-9-15-6-5-11-19-14-15)20-16-7-1-2-8-17(16)21-12-3-4-13-21/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,20,22).
What are the key properties of 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide?
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 295.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 30583465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).