N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H20FN3O2 — CID 95149559

IUPACN-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O2/c1-12-2-7-16(18(24)21-12)17(23)20-10-13-8-9-22(11-13)15-5-3-14(19)4-6-15/h2-7,13H,8-11H2,1H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyHGIXWCYEHGNPIE-CYBMUJFWSA-N
MW329.38 g/mol
LogP2.08
Rot. Bonds4

About N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95149559) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95149559
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O2/c1-12-2-7-16(18(24)21-12)17(23)20-10-13-8-9-22(11-13)15-5-3-14(19)4-6-15/h2-7,13H,8-11H2,1H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyHGIXWCYEHGNPIE-CYBMUJFWSA-N
XLogP2.08
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 125175762
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 167801766
2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 51125497
6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
CID 124877536
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
5-fluoro-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1-benzothiophene-2-carboxamide
CID 97012170
3,3,3-trifluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 122132458
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72931509

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95149559) is N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c(=O)[nH]1.
What is the InChIKey of N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HGIXWCYEHGNPIE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-2-7-16(18(24)21-12)17(23)20-10-13-8-9-22(11-13)15-5-3-14(19)4-6-15/h2-7,13H,8-11H2,1H3,(H,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95149559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).