N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide

C21H18FN3O — CID 167913641

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN3O/c22-18-8-6-15(7-9-18)19-2-1-3-20(25-19)21(26)24-11-14-4-5-16-12-23-13-17(16)10-14/h1-10,23H,11-13H2,(H,24,26)
InChIKeyBARYFHFDYBEXMZ-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.42
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 167913641) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID167913641
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN3O/c22-18-8-6-15(7-9-18)19-2-1-3-20(25-19)21(26)24-11-14-4-5-16-12-23-13-17(16)10-14/h1-10,23H,11-13H2,(H,24,26)
InChIKeyBARYFHFDYBEXMZ-UHFFFAOYSA-N
XLogP3.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide
CID 167766096
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
CID 105062382
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
5-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-2-carboxamide
CID 105062322
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
CID 105357655
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluoropyridine-4-carboxamide
CID 105062273
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
CID 105062320
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methylfuran-3-carboxamide
CID 105357534
6-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097871

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide (CID 167913641) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide is O=C(NCc1ccc2c(c1)CNC2)c1cccc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is BARYFHFDYBEXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-18-8-6-15(7-9-18)19-2-1-3-20(25-19)21(26)24-11-14-4-5-16-12-23-13-17(16)10-14/h1-10,23H,11-13H2,(H,24,26).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 167913641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).