N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

C15H13FN2O — CID 94198155

IUPACN-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2c(F)cccc21)c1cccnc1
InChIInChI=1S/C15H13FN2O/c16-13-5-1-4-12-11(13)6-7-14(12)18-15(19)10-3-2-8-17-9-10/h1-5,8-9,14H,6-7H2,(H,18,19)/t14-/m1/s1
InChIKeyKDHCBOQMPXXPEQ-CQSZACIVSA-N
MW256.28 g/mol
LogP2.64
Rot. Bonds2

About N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide

N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (PubChem CID 94198155) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
PubChem CID94198155
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC NameN-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2c(F)cccc21)c1cccnc1
InChIInChI=1S/C15H13FN2O/c16-13-5-1-4-12-11(13)6-7-14(12)18-15(19)10-3-2-8-17-9-10/h1-5,8-9,14H,6-7H2,(H,18,19)/t14-/m1/s1
InChIKeyKDHCBOQMPXXPEQ-CQSZACIVSA-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)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 97248736
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372
1-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242744
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 86963003
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide
CID 144743698
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 135337386
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
5-(2-fluorophenyl)-N-(1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl)pyridine-3-carboxamide
CID 167747959

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide (CID 94198155) is N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CCc2c(F)cccc21)c1cccnc1.
What is the InChIKey of N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
The InChIKey is KDHCBOQMPXXPEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-5-1-4-12-11(13)6-7-14(12)18-15(19)10-3-2-8-17-9-10/h1-5,8-9,14H,6-7H2,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide?
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-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-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 94198155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).