N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide

C16H17N3O3 — CID 959964

IUPACN'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H17N3O3/c1-11(2)22-14-5-3-12(4-6-14)15(20)18-19-16(21)13-7-9-17-10-8-13/h3-11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyTWQAZRHUBIHHIC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.94
Rot. Bonds4

About N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide

N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide (PubChem CID 959964) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
PubChem CID959964
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C16H17N3O3/c1-11(2)22-14-5-3-12(4-6-14)15(20)18-19-16(21)13-7-9-17-10-8-13/h3-11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyTWQAZRHUBIHHIC-UHFFFAOYSA-N
XLogP1.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
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'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
CID 4129362
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-butanoyl-4-propan-2-yloxybenzohydrazide
CID 17340325
1-propan-2-yl-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
CID 7978085
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
CID 51543869
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
4-propan-2-yloxypyridine
CID 4527576
N'-[(2R)-2-aminopropanoyl]pyridine-4-carbohydrazide
CID 24838770

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide (CID 959964) is N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)c2ccncc2)cc1.
What is the InChIKey of N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide?
The InChIKey is TWQAZRHUBIHHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(2)22-14-5-3-12(4-6-14)15(20)18-19-16(21)13-7-9-17-10-8-13/h3-11H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide?
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide has a molecular weight of 299.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 959964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).