N-(1-adamantyl)-5-aminopyridine-2-carboxamide

C16H21N3O — CID 81309951

IUPACN-(1-adamantyl)-5-aminopyridine-2-carboxamide
SMILESNc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C16H21N3O/c17-13-1-2-14(18-9-13)15(20)19-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8,17H2,(H,19,20)
InChIKeyTZQZILBVCOMAHR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.36
Rot. Bonds2

About N-(1-adamantyl)-5-aminopyridine-2-carboxamide

N-(1-adamantyl)-5-aminopyridine-2-carboxamide (PubChem CID 81309951) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-adamantyl)-5-aminopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-aminopyridine-2-carboxamide
PubChem CID81309951
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1-adamantyl)-5-aminopyridine-2-carboxamide
SMILESNc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C16H21N3O/c17-13-1-2-14(18-9-13)15(20)19-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8,17H2,(H,19,20)
InChIKeyTZQZILBVCOMAHR-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
N-(1-adamantylcarbamoyl)-4-aminobenzamide
CID 108896053
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-2-carboxamide
CID 81316686
5-amino-N-(3,5-dimethylcyclohexyl)pyridine-2-carboxamide
CID 81316470
N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62153733
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66373028
N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide
CID 62153371
N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355510
1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea
CID 62901081
N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84577194

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-aminopyridine-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-aminopyridine-2-carboxamide (CID 81309951) is N-(1-adamantyl)-5-aminopyridine-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-aminopyridine-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-aminopyridine-2-carboxamide is Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of N-(1-adamantyl)-5-aminopyridine-2-carboxamide?
The InChIKey is TZQZILBVCOMAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-13-1-2-14(18-9-13)15(20)19-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8,17H2,(H,19,20).
What are the key properties of N-(1-adamantyl)-5-aminopyridine-2-carboxamide?
N-(1-adamantyl)-5-aminopyridine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-aminopyridine-2-carboxamide is sourced from PubChem (CID 81309951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).