N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide

C15H13FN2O — CID 115645626

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1ccncc1F
InChIInChI=1S/C15H13FN2O/c16-13-9-17-8-7-12(13)15(19)18-14-6-5-10-3-1-2-4-11(10)14/h1-4,7-9,14H,5-6H2,(H,18,19)
InChIKeyHFUSUMRSFHTKOZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.64
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 115645626) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
PubChem CID115645626
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1ccncc1F
InChIInChI=1S/C15H13FN2O/c16-13-9-17-8-7-12(13)15(19)18-14-6-5-10-3-1-2-4-11(10)14/h1-4,7-9,14H,5-6H2,(H,18,19)
InChIKeyHFUSUMRSFHTKOZ-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 99642803
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 99990409
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
1,2,3,4-tetrahydronaphthalen-1-yl 3-fluoropyridine-4-carboxylate
CID 115646681
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
CID 171547623
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide (CID 115645626) is N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide is O=C(NC1CCc2ccccc21)c1ccncc1F.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is HFUSUMRSFHTKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-9-17-8-7-12(13)15(19)18-14-6-5-10-3-1-2-4-11(10)14/h1-4,7-9,14H,5-6H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 256.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115645626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).