N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide

C20H15FN4O2 — CID 178023288

IUPACN-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2Cc3ccc(F)cc3C2=O)nc1)c1cccnc1
InChIInChI=1S/C20H15FN4O2/c21-16-5-4-15-12-25(20(27)17(15)8-16)18-6-3-13(9-23-18)10-24-19(26)14-2-1-7-22-11-14/h1-9,11H,10,12H2,(H,24,26)
InChIKeyFMQSAOZNNKPLGA-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.71
Rot. Bonds4

About N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide

N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 178023288) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID178023288
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC NameN-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2Cc3ccc(F)cc3C2=O)nc1)c1cccnc1
InChIInChI=1S/C20H15FN4O2/c21-16-5-4-15-12-25(20(27)17(15)8-16)18-6-3-13(9-23-18)10-24-19(26)14-2-1-7-22-11-14/h1-9,11H,10,12H2,(H,24,26)
InChIKeyFMQSAOZNNKPLGA-UHFFFAOYSA-N
XLogP2.71
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023408
N-[[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023317
N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023252
N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023261
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
2-[(3-chloro-4-fluorophenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-5-carboxamide
CID 10047137
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53135643
N-benzylpyridine-3-carboxamide chloride
CID 21204170
3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105993
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189

Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 178023288) is N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(N2Cc3ccc(F)cc3C2=O)nc1)c1cccnc1.
What is the InChIKey of N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is FMQSAOZNNKPLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-16-5-4-15-12-25(20(27)17(15)8-16)18-6-3-13(9-23-18)10-24-19(26)14-2-1-7-22-11-14/h1-9,11H,10,12H2,(H,24,26).
What are the key properties of N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 178023288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).