N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide

C16H21N3O2 — CID 122301516

IUPACN-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide
SMILESCOc1ncc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H21N3O2/c1-21-15-17-8-13(9-18-15)19-14(20)16-5-10-2-11(6-16)4-12(3-10)7-16/h8-12H,2-7H2,1H3,(H,19,20)
InChIKeyRDKSDMNUBAFJJZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.64
Rot. Bonds3

About N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide

N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide (PubChem CID 122301516) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide
PubChem CID122301516
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide
SMILESCOc1ncc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C16H21N3O2/c1-21-15-17-8-13(9-18-15)19-14(20)16-5-10-2-11(6-16)4-12(3-10)7-16/h8-12H,2-7H2,1H3,(H,19,20)
InChIKeyRDKSDMNUBAFJJZ-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide
CID 122302713
N-(6-chloro-5-methyl-3-pyridinyl)adamantane-1-carboxamide
CID 103730509
methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
CID 155558946
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 4018470
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 33126209
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide?
The IUPAC name of N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide (CID 122301516) is N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide is COc1ncc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide?
The InChIKey is RDKSDMNUBAFJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-15-17-8-13(9-18-15)19-14(20)16-5-10-2-11(6-16)4-12(3-10)7-16/h8-12H,2-7H2,1H3,(H,19,20).
What are the key properties of N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide?
N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 122301516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).