N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide

C19H20FN3O2 — CID 42189825

IUPACN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H20FN3O2/c1-13-3-2-4-17(21-13)19(25)22-16-11-18(24)23(12-16)10-9-14-5-7-15(20)8-6-14/h2-8,16H,9-12H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyDPQCOIFTQZIDEA-MRXNPFEDSA-N
MW341.39 g/mol
LogP2.10
Rot. Bonds5

About N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide

N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide (PubChem CID 42189825) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
PubChem CID42189825
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H20FN3O2/c1-13-3-2-4-17(21-13)19(25)22-16-11-18(24)23(12-16)10-9-14-5-7-15(20)8-6-14/h2-8,16H,9-12H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyDPQCOIFTQZIDEA-MRXNPFEDSA-N
XLogP2.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 95594104
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 95720011
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 56911030
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 56886684
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 56910590
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide (CID 42189825) is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1.
What is the InChIKey of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is DPQCOIFTQZIDEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-3-2-4-17(21-13)19(25)22-16-11-18(24)23(12-16)10-9-14-5-7-15(20)8-6-14/h2-8,16H,9-12H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide?
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 42189825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).