N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide

C16H14N4O3 — CID 51543869

IUPACN'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C16H14N4O3/c1-11(23-14-4-2-12(10-17)3-5-14)15(21)19-20-16(22)13-6-8-18-9-7-13/h2-9,11H,1H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyQLJUAMGKOMVNAJ-LLVKDONJSA-N
MW310.31 g/mol
LogP1.18
Rot. Bonds4

About N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide

N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide (PubChem CID 51543869) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
PubChem CID51543869
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C16H14N4O3/c1-11(23-14-4-2-12(10-17)3-5-14)15(21)19-20-16(22)13-6-8-18-9-7-13/h2-9,11H,1H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyQLJUAMGKOMVNAJ-LLVKDONJSA-N
XLogP1.18
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide
CID 78779270
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41273245
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
N'-[1-(4-cyanophenyl)ethenyl]pyridine-4-carbohydrazide
CID 2379623
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide
CID 108539918
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate
CID 43074352

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide (CID 51543869) is N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide?
The InChIKey is QLJUAMGKOMVNAJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-11(23-14-4-2-12(10-17)3-5-14)15(21)19-20-16(22)13-6-8-18-9-7-13/h2-9,11H,1H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide?
N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide has a molecular weight of 310.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 51543869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).