2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide

C20H26N4O3 — CID 35151780

IUPAC2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C20H26N4O3/c25-17(10-20-7-13-4-14(8-20)6-15(5-13)9-20)22-12-18(26)23-24-19(27)16-2-1-3-21-11-16/h1-3,11,13-15H,4-10,12H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyOVMMNMVMDJYCSK-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.57
Rot. Bonds5

About 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide

2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide (PubChem CID 35151780) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide
PubChem CID35151780
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C20H26N4O3/c25-17(10-20-7-13-4-14(8-20)6-15(5-13)9-20)22-12-18(26)23-24-19(27)16-2-1-3-21-11-16/h1-3,11,13-15H,4-10,12H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyOVMMNMVMDJYCSK-UHFFFAOYSA-N
XLogP1.57
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55653506
2-(1-adamantyl)-N-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 9401804
2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide
CID 17445132
2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide
CID 27689352
2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethylsulfanyl)anilino]ethyl]acetamide
CID 34425861
4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 35151089
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
N-(1-adamantyl)-N-methylpyridine-3-carboxamide
CID 2971348

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide (CID 35151780) is 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)c1cccnc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide?
The InChIKey is OVMMNMVMDJYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-17(10-20-7-13-4-14(8-20)6-15(5-13)9-20)22-12-18(26)23-24-19(27)16-2-1-3-21-11-16/h1-3,11,13-15H,4-10,12H2,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide?
2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide is sourced from PubChem (CID 35151780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).