N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide

C18H19N3O2 — CID 42509730

IUPACN-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cccnc1
InChIInChI=1S/C18H19N3O2/c22-17-11-16(20-18(23)15-7-4-9-19-12-15)13-21(17)10-8-14-5-2-1-3-6-14/h1-7,9,12,16H,8,10-11,13H2,(H,20,23)/t16-/m1/s1
InChIKeyRAQBDHZISCILMN-MRXNPFEDSA-N
MW309.37 g/mol
LogP1.65
Rot. Bonds5

About N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide

N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 42509730) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID42509730
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cccnc1
InChIInChI=1S/C18H19N3O2/c22-17-11-16(20-18(23)15-7-4-9-19-12-15)13-21(17)10-8-14-5-2-1-3-6-14/h1-7,9,12,16H,8,10-11,13H2,(H,20,23)/t16-/m1/s1
InChIKeyRAQBDHZISCILMN-MRXNPFEDSA-N
XLogP1.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 26401895
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45248913
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 95723174
[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl pyridine-3-carboxylate
CID 97082060
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45188478
N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
CID 56826631
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95714998
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 42509730) is N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cccnc1.
What is the InChIKey of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is RAQBDHZISCILMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-11-16(20-18(23)15-7-4-9-19-12-15)13-21(17)10-8-14-5-2-1-3-6-14/h1-7,9,12,16H,8,10-11,13H2,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42509730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).