N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide

C23H21FN4O4 — CID 54720505

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C(=O)N2CCCC2c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C23H21FN4O4/c24-15-8-6-14(7-9-15)13-26-21(30)16-12-18(27-22(31)20(16)29)23(32)28-11-3-5-19(28)17-4-1-2-10-25-17/h1-2,4,6-10,12,19,29H,3,5,11,13H2,(H,26,30)(H,27,31)
InChIKeySZZAWPALVROWCD-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.52
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide (PubChem CID 54720505) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide
PubChem CID54720505
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(C(=O)N2CCCC2c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C23H21FN4O4/c24-15-8-6-14(7-9-15)13-26-21(30)16-12-18(27-22(31)20(16)29)23(32)28-11-3-5-19(28)17-4-1-2-10-25-17/h1-2,4,6-10,12,19,29H,3,5,11,13H2,(H,26,30)(H,27,31)
InChIKeySZZAWPALVROWCD-UHFFFAOYSA-N
XLogP2.52
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide
CID 54716688
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]pyrimidine-4-carboxamide
CID 54712010
N-[(4-fluorophenyl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074210
6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 95867221
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 178095403
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 135598699
(2S)-N-[(4-fluorophenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056305
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 146085152

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide (CID 54720505) is N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(C(=O)N2CCCC2c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide?
The InChIKey is SZZAWPALVROWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c24-15-8-6-14(7-9-15)13-26-21(30)16-12-18(27-22(31)20(16)29)23(32)28-11-3-5-19(28)17-4-1-2-10-25-17/h1-2,4,6-10,12,19,29H,3,5,11,13H2,(H,26,30)(H,27,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 54720505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).