N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide

C16H14ClFN2O — CID 141420905

IUPACN-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C16H14ClFN2O/c1-9-11(3-2-6-19-9)16(21)20-15-5-4-12-13(15)7-10(17)8-14(12)18/h2-3,6-8,15H,4-5H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyJHAKHKMPUIXWAJ-OAHLLOKOSA-N
MW304.75 g/mol
LogP3.60
Rot. Bonds2

About N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide

N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (PubChem CID 141420905) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
PubChem CID141420905
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC NameN-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C16H14ClFN2O/c1-9-11(3-2-6-19-9)16(21)20-15-5-4-12-13(15)7-10(17)8-14(12)18/h2-3,6-8,15H,4-5H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyJHAKHKMPUIXWAJ-OAHLLOKOSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (CID 141420905) is N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)N[C@@H]1CCc2c(F)cc(Cl)cc21.
What is the InChIKey of N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is JHAKHKMPUIXWAJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-9-11(3-2-6-19-9)16(21)20-15-5-4-12-13(15)7-10(17)8-14(12)18/h2-3,6-8,15H,4-5H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 304.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 141420905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).