N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide

C17H21FN2O — CID 169060079

IUPACN-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ncc1F
InChIInChI=1S/C17H21FN2O/c1-10-2-15(19-9-14(10)18)20-16(21)17-6-11-3-12(7-17)5-13(4-11)8-17/h2,9,11-13H,3-8H2,1H3,(H,19,20,21)
InChIKeyIBVJOXCUEZNKCP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.68
Rot. Bonds2

About N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide

N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide (PubChem CID 169060079) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide
PubChem CID169060079
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ncc1F
InChIInChI=1S/C17H21FN2O/c1-10-2-15(19-9-14(10)18)20-16(21)17-6-11-3-12(7-17)5-13(4-11)8-17/h2,9,11-13H,3-8H2,1H3,(H,19,20,21)
InChIKeyIBVJOXCUEZNKCP-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide?
The IUPAC name of N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide (CID 169060079) is N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide is Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ncc1F.
What is the InChIKey of N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide?
The InChIKey is IBVJOXCUEZNKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-10-2-15(19-9-14(10)18)20-16(21)17-6-11-3-12(7-17)5-13(4-11)8-17/h2,9,11-13H,3-8H2,1H3,(H,19,20,21).
What are the key properties of N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide?
N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide is sourced from PubChem (CID 169060079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).