methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate

C18H22N2O3 — CID 155558946

IUPACmethyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O3/c1-23-16(21)14-3-2-4-19-15(14)20-17(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h2-4,11-13H,5-10H2,1H3,(H,19,20,22)
InChIKeyXAMBBFTVEHPZSB-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.02
Rot. Bonds3

About methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate

methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate (PubChem CID 155558946) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
PubChem CID155558946
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Namemethyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O3/c1-23-16(21)14-3-2-4-19-15(14)20-17(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h2-4,11-13H,5-10H2,1H3,(H,19,20,22)
InChIKeyXAMBBFTVEHPZSB-UHFFFAOYSA-N
XLogP3.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
methyl 2-[[4-[4-(1-adamantyl)anilino]benzoyl]amino]pyridine-3-carboxylate
CID 155134582
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18107080
methyl 2-[3-[[4-(1-adamantyl)phenyl]carbamoyl]anilino]pyridine-3-carboxylate
CID 155134560
N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide
CID 122301516
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 62526363
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997

Frequently Asked Questions

What is the IUPAC name of methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate (CID 155558946) is methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate is COC(=O)c1cccnc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate?
The InChIKey is XAMBBFTVEHPZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-16(21)14-3-2-4-19-15(14)20-17(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h2-4,11-13H,5-10H2,1H3,(H,19,20,22).
What are the key properties of methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate?
methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate is sourced from PubChem (CID 155558946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).