N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide

C17H21N3O2 — CID 3504072

IUPACN'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1
InChIInChI=1S/C17H21N3O2/c21-15(14-3-1-2-4-18-14)19-20-16(22)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)
InChIKeyPNWPEAGOSOWIPR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.06
Rot. Bonds2

About N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide

N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide (PubChem CID 3504072) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide
PubChem CID3504072
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1
InChIInChI=1S/C17H21N3O2/c21-15(14-3-1-2-4-18-14)19-20-16(22)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)
InChIKeyPNWPEAGOSOWIPR-UHFFFAOYSA-N
XLogP2.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide (CID 3504072) is N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1.
What is the InChIKey of N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide?
The InChIKey is PNWPEAGOSOWIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-15(14-3-1-2-4-18-14)19-20-16(22)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22).
What are the key properties of N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide?
N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide has a molecular weight of 299.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(adamantane-1-carbonyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 3504072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).