N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide

C22H22F2N2O — CID 58211680

IUPACN-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C22H22F2N2O/c23-16-4-5-17(18(24)9-16)19-2-1-3-20(25-19)21(27)26-22-10-13-6-14(11-22)8-15(7-13)12-22/h1-5,9,13-15H,6-8,10-12H2,(H,26,27)
InChIKeyLWRGJEWMHACBPN-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.73
Rot. Bonds3

About N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide

N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide (PubChem CID 58211680) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide
PubChem CID58211680
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C22H22F2N2O/c23-16-4-5-17(18(24)9-16)19-2-1-3-20(25-19)21(27)26-22-10-13-6-14(11-22)8-15(7-13)12-22/h1-5,9,13-15H,6-8,10-12H2,(H,26,27)
InChIKeyLWRGJEWMHACBPN-UHFFFAOYSA-N
XLogP4.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide (CID 58211680) is N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2ccc(F)cc2F)n1.
What is the InChIKey of N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is LWRGJEWMHACBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O/c23-16-4-5-17(18(24)9-16)19-2-1-3-20(25-19)21(27)26-22-10-13-6-14(11-22)8-15(7-13)12-22/h1-5,9,13-15H,6-8,10-12H2,(H,26,27).
What are the key properties of N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide?
N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6-(2,4-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 58211680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).