[2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate

C19H24N2O3 — CID 7478107

IUPAC[2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O3/c22-17(11-24-18(23)16-1-3-20-4-2-16)21-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyRVPGTXSEBIMFHD-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.57
Rot. Bonds5

About [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate

[2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 7478107) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate
PubChem CID7478107
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O3/c22-17(11-24-18(23)16-1-3-20-4-2-16)21-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyRVPGTXSEBIMFHD-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-adamantylmethylamino)-2-oxoethyl] 4-phenoxybenzoate
CID 7859627
[2-(1-adamantylmethylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7210696
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783764
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-cyanobenzoate
CID 7454564
[2-(1-adamantylmethylamino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550624
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065231
[2-(1-adamantylmethylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4781965
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903408
[2-(1-adamantylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395527
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359024
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 7813387
[2-(1-adamantylmethylamino)-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7351988

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate (CID 7478107) is [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate is O=C(COC(=O)c1ccncc1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is RVPGTXSEBIMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17(11-24-18(23)16-1-3-20-4-2-16)21-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate?
[2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 7478107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).