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

C15H13FN2O — CID 114037815

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1cccnc1F
InChIInChI=1S/C15H13FN2O/c16-14-13(6-3-7-17-14)15(19)18-12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H,18,19)
InChIKeyHUMZAWYDWYMMCB-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.12
Rot. Bonds2

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

N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide (PubChem CID 114037815) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide
PubChem CID114037815
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1cccnc1F
InChIInChI=1S/C15H13FN2O/c16-14-13(6-3-7-17-14)15(19)18-12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H,18,19)
InChIKeyHUMZAWYDWYMMCB-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-fluoropyridine-4-carboxamide
CID 107856271
N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
CID 114037667
2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 10199216
N-(2,3-dihydro-1H-inden-2-yl)-2-fluoro-4-hydroxybenzamide
CID 104694744
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoropyridine-2-carboxamide
CID 113442142
tert-butyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoate
CID 91117529
N-(2,3-dihydro-1H-inden-2-yl)-3-hydrazinylpyridine-4-carboxamide
CID 107854927
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
(2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
CID 71819247
2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 107358573

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide (CID 114037815) is N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide is O=C(NC1Cc2ccccc2C1)c1cccnc1F.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide?
The InChIKey is HUMZAWYDWYMMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-14-13(6-3-7-17-14)15(19)18-12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide has a molecular weight of 256.28 g/mol, XLogP of 2.12, 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-2-yl)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 114037815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).