N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide

C17H21ClN2O — CID 103730509

IUPACN-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cnc1Cl
InChIInChI=1S/C17H21ClN2O/c1-10-2-14(9-19-15(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,20,21)
InChIKeyPIJPMFPGDXEWNX-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.20
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide (PubChem CID 103730509) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide
PubChem CID103730509
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cnc1Cl
InChIInChI=1S/C17H21ClN2O/c1-10-2-14(9-19-15(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,20,21)
InChIKeyPIJPMFPGDXEWNX-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.20
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-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide (CID 103730509) is N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide is Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide?
The InChIKey is PIJPMFPGDXEWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-10-2-14(9-19-15(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,20,21).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide has a molecular weight of 304.82 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide is sourced from PubChem (CID 103730509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).