N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide

C18H18ClN3O2 — CID 56786587

IUPACN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H18ClN3O2/c19-14-5-1-2-6-16(14)22-11-9-15(18(22)24)21-17(23)8-7-13-4-3-10-20-12-13/h1-6,10,12,15H,7-9,11H2,(H,21,23)
InChIKeyCBGRYJUADDXJNF-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.59
Rot. Bonds5

About N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide

N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide (PubChem CID 56786587) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
PubChem CID56786587
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H18ClN3O2/c19-14-5-1-2-6-16(14)22-11-9-15(18(22)24)21-17(23)8-7-13-4-3-10-20-12-13/h1-6,10,12,15H,7-9,11H2,(H,21,23)
InChIKeyCBGRYJUADDXJNF-UHFFFAOYSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 56787564
2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 124743636
1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 95620292
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 119128736
(3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 124556757
N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide
CID 126417107
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide (CID 56786587) is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NC1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is CBGRYJUADDXJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-5-1-2-6-16(14)22-11-9-15(18(22)24)21-17(23)8-7-13-4-3-10-20-12-13/h1-6,10,12,15H,7-9,11H2,(H,21,23).
What are the key properties of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide?
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 343.81 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 56786587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).