methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate

C20H26N2O3 — CID 75363372

IUPACmethyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C20H26N2O3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-18(23)16-4-3-5-17(22-16)19(24)25-2/h3-5,12-15H,6-11H2,1-2H3,(H,21,23)
InChIKeyMWTWYFDOJVEUDJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.20
Rot. Bonds4

About methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate

methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate (PubChem CID 75363372) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate
PubChem CID75363372
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Namemethyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C20H26N2O3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-18(23)16-4-3-5-17(22-16)19(24)25-2/h3-5,12-15H,6-11H2,1-2H3,(H,21,23)
InChIKeyMWTWYFDOJVEUDJ-UHFFFAOYSA-N
XLogP3.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide
CID 75361389
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
CID 2834608
N-[1-(1-adamantyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75363348
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
methyl 6-[1-(2-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylate
CID 47044898
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7777626
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate (CID 75363372) is methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is MWTWYFDOJVEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-18(23)16-4-3-5-17(22-16)19(24)25-2/h3-5,12-15H,6-11H2,1-2H3,(H,21,23).
What are the key properties of methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate?
methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 75363372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).