N-(1-adamantyl)-2-chloropyridine-3-carboxamide

C16H19ClN2O — CID 3154711

IUPACN-(1-adamantyl)-2-chloropyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cccnc1Cl
InChIInChI=1S/C16H19ClN2O/c17-14-13(2-1-3-18-14)15(20)19-16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H,19,20)
InChIKeyZFKQOEFQHFJRCQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.43
Rot. Bonds2

About N-(1-adamantyl)-2-chloropyridine-3-carboxamide

N-(1-adamantyl)-2-chloropyridine-3-carboxamide (PubChem CID 3154711) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(1-adamantyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-chloropyridine-3-carboxamide
PubChem CID3154711
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(1-adamantyl)-2-chloropyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cccnc1Cl
InChIInChI=1S/C16H19ClN2O/c17-14-13(2-1-3-18-14)15(20)19-16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H,19,20)
InChIKeyZFKQOEFQHFJRCQ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-chloropyridine-3-carboxamide (CID 3154711) is N-(1-adamantyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-chloropyridine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cccnc1Cl.
What is the InChIKey of N-(1-adamantyl)-2-chloropyridine-3-carboxamide?
The InChIKey is ZFKQOEFQHFJRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-14-13(2-1-3-18-14)15(20)19-16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H,19,20).
What are the key properties of N-(1-adamantyl)-2-chloropyridine-3-carboxamide?
N-(1-adamantyl)-2-chloropyridine-3-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 3154711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).