ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate

C20H26N2O3 — CID 108755461

IUPACethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H26N2O3/c1-2-25-19(24)16-3-4-21-17(8-16)22-18(23)12-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,2,5-7,9-12H2,1H3,(H,21,22,23)
InChIKeyZUURRAHKWGQIRA-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.80
Rot. Bonds5

About ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate

ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate (PubChem CID 108755461) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate
PubChem CID108755461
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nameethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H26N2O3/c1-2-25-19(24)16-3-4-21-17(8-16)22-18(23)12-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,2,5-7,9-12H2,1H3,(H,21,22,23)
InChIKeyZUURRAHKWGQIRA-UHFFFAOYSA-N
XLogP3.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
CID 108731941
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2874506
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
ethyl 4-(1-adamantylmethylamino)benzoate
CID 57474987
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
ethyl 5-[[2-(1-adamantyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 108761389
ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 141228390
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate (CID 108755461) is ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate?
The InChIKey is ZUURRAHKWGQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-25-19(24)16-3-4-21-17(8-16)22-18(23)12-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,2,5-7,9-12H2,1H3,(H,21,22,23).
What are the key properties of ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate?
ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 108755461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).