N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide

C19H21N3O2 — CID 49037087

IUPACN'-(4-cyanobenzoyl)adamantane-2-carbohydrazide
SMILESN#Cc1ccc(C(=O)NNC(=O)C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H21N3O2/c20-10-11-1-3-14(4-2-11)18(23)21-22-19(24)17-15-6-12-5-13(8-15)9-16(17)7-12/h1-4,12-13,15-17H,5-9H2,(H,21,23)(H,22,24)
InChIKeyCMVVPCGNIUNFDK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.39
Rot. Bonds2

About N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide

N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide (PubChem CID 49037087) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-cyanobenzoyl)adamantane-2-carbohydrazide
PubChem CID49037087
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN'-(4-cyanobenzoyl)adamantane-2-carbohydrazide
SMILESN#Cc1ccc(C(=O)NNC(=O)C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H21N3O2/c20-10-11-1-3-14(4-2-11)18(23)21-22-19(24)17-15-6-12-5-13(8-15)9-16(17)7-12/h1-4,12-13,15-17H,5-9H2,(H,21,23)(H,22,24)
InChIKeyCMVVPCGNIUNFDK-UHFFFAOYSA-N
XLogP2.39
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4S)-3-[[(4-cyanobenzoyl)amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 176915284
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(4-cyanobenzoyl)amino]urea
CID 49120421
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203
N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
CID 2588432
4-cyano-N-methylsulfonylbenzamide
CID 47232721
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-cyanobenzamide
CID 31679594
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
N'-[1-(4-cyanophenyl)ethenyl]pyridine-4-carbohydrazide
CID 2379623
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
(2S)-N-(4-cyanobenzoyl)pyrrolidine-2-carboxamide
CID 20613025

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide?
The IUPAC name of N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide (CID 49037087) is N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide.
What is the SMILES notation for N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide?
The canonical SMILES for N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide is N#Cc1ccc(C(=O)NNC(=O)C2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide?
The InChIKey is CMVVPCGNIUNFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-10-11-1-3-14(4-2-11)18(23)21-22-19(24)17-15-6-12-5-13(8-15)9-16(17)7-12/h1-4,12-13,15-17H,5-9H2,(H,21,23)(H,22,24).
What are the key properties of N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide?
N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide has a molecular weight of 323.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanobenzoyl)adamantane-2-carbohydrazide is sourced from PubChem (CID 49037087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).