N-(2-adamantyl)-4-chloropyridine-3-carboxamide

C16H19ClN2O — CID 81230801

IUPACN-(2-adamantyl)-4-chloropyridine-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cnccc1Cl
InChIInChI=1S/C16H19ClN2O/c17-14-1-2-18-8-13(14)16(20)19-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,8-12,15H,3-7H2,(H,19,20)
InChIKeyXTGBUFVEBQVZAI-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.29
Rot. Bonds2

About N-(2-adamantyl)-4-chloropyridine-3-carboxamide

N-(2-adamantyl)-4-chloropyridine-3-carboxamide (PubChem CID 81230801) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(2-adamantyl)-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-chloropyridine-3-carboxamide
PubChem CID81230801
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(2-adamantyl)-4-chloropyridine-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cnccc1Cl
InChIInChI=1S/C16H19ClN2O/c17-14-1-2-18-8-13(14)16(20)19-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,8-12,15H,3-7H2,(H,19,20)
InChIKeyXTGBUFVEBQVZAI-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-adamantyl)-4-chloropyridine-3-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-(2-adamantyl)-4-chloropyridine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-chloropyridine-3-carboxamide (CID 81230801) is N-(2-adamantyl)-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-chloropyridine-3-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cnccc1Cl.
What is the InChIKey of N-(2-adamantyl)-4-chloropyridine-3-carboxamide?
The InChIKey is XTGBUFVEBQVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-14-1-2-18-8-13(14)16(20)19-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,8-12,15H,3-7H2,(H,19,20).
What are the key properties of N-(2-adamantyl)-4-chloropyridine-3-carboxamide?
N-(2-adamantyl)-4-chloropyridine-3-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 81230801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).