N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide

C21H28N4O3 — CID 9401958

IUPACN-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide
SMILESO=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccn1
InChIInChI=1S/C21H28N4O3/c26-18(24-25-19(27)17-4-1-2-6-22-17)5-3-7-23-20(28)21-11-14-8-15(12-21)10-16(9-14)13-21/h1-2,4,6,14-16H,3,5,7-13H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyFOPVITKOOSGVQB-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.96
Rot. Bonds6

About N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide

N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide (PubChem CID 9401958) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide
PubChem CID9401958
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide
SMILESO=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccn1
InChIInChI=1S/C21H28N4O3/c26-18(24-25-19(27)17-4-1-2-6-22-17)5-3-7-23-20(28)21-11-14-8-15(12-21)10-16(9-14)13-21/h1-2,4,6,14-16H,3,5,7-13H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyFOPVITKOOSGVQB-UHFFFAOYSA-N
XLogP1.96
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide
CID 9020837
N'-pentanoylpyridine-2-carbohydrazide
CID 29259706
N-[4-(benzhydrylamino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398026
phenyl 4-(adamantane-1-carbonylamino)butanoate
CID 18281096
N-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]adamantane-1-carboxamide
CID 139835097
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8638102
N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 30870609
N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
CID 2852529
N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide
CID 24563028
N-[4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-4-oxobutyl]adamantane-1-carboxamide
CID 9369048
N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 134017600

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide (CID 9401958) is N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide is O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccn1.
What is the InChIKey of N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide?
The InChIKey is FOPVITKOOSGVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-18(24-25-19(27)17-4-1-2-6-22-17)5-3-7-23-20(28)21-11-14-8-15(12-21)10-16(9-14)13-21/h1-2,4,6,14-16H,3,5,7-13H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide?
N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide is sourced from PubChem (CID 9401958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).