N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide

C19H25N3O2 — CID 3315534

IUPACN'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NNC(=O)c1cccnc1)(C3)C2
InChIInChI=1S/C19H25N3O2/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)16(24)22-21-15(23)14-4-3-5-20-9-14/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyULXDPWZOQIWDNR-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.84
Rot. Bonds2

About N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide

N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide (PubChem CID 3315534) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide
PubChem CID3315534
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NNC(=O)c1cccnc1)(C3)C2
InChIInChI=1S/C19H25N3O2/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)16(24)22-21-15(23)14-4-3-5-20-9-14/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyULXDPWZOQIWDNR-UHFFFAOYSA-N
XLogP2.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.84
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

N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide
CID 71510461
3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 6468967
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 17168267
N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide
CID 3146003
(3,5-dimethyl-1-adamantyl)-(3-fluorophenyl)methanone
CID 79995520
3,5-dimethyl-N-(1-phenylethyl)adamantane-1-carboxamide
CID 112759840
N-methylpyridine-3-carboxamide chloride
CID 20976730
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide (CID 3315534) is N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide is CC12CC3CC(C)(C1)CC(C(=O)NNC(=O)c1cccnc1)(C3)C2.
What is the InChIKey of N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide?
The InChIKey is ULXDPWZOQIWDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)16(24)22-21-15(23)14-4-3-5-20-9-14/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide?
N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide has a molecular weight of 327.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 3315534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).