N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide

C17H17FN2O — CID 138037112

IUPACN-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1ccnc(C)c1NC(=O)C1CCc2cc(F)ccc21
InChIInChI=1S/C17H17FN2O/c1-10-7-8-19-11(2)16(10)20-17(21)15-5-3-12-9-13(18)4-6-14(12)15/h4,6-9,15H,3,5H2,1-2H3,(H,20,21)
InChIKeyQOCBQNIGZXMNPP-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.51
Rot. Bonds2

About N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide

N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 138037112) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID138037112
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1ccnc(C)c1NC(=O)C1CCc2cc(F)ccc21
InChIInChI=1S/C17H17FN2O/c1-10-7-8-19-11(2)16(10)20-17(21)15-5-3-12-9-13(18)4-6-14(12)15/h4,6-9,15H,3,5H2,1-2H3,(H,20,21)
InChIKeyQOCBQNIGZXMNPP-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide (CID 138037112) is N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide is Cc1ccnc(C)c1NC(=O)C1CCc2cc(F)ccc21.
What is the InChIKey of N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is QOCBQNIGZXMNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10-7-8-19-11(2)16(10)20-17(21)15-5-3-12-9-13(18)4-6-14(12)15/h4,6-9,15H,3,5H2,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide?
N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 138037112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).