N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide

C16H15N3O — CID 7000114

IUPACN'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide
SMILESC=C(C=Cc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C16H15N3O/c1-13(7-8-14-5-3-2-4-6-14)18-19-16(20)15-9-11-17-12-10-15/h2-12,18H,1H2,(H,19,20)
InChIKeyWBLZXMPESDVRBF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.54
Rot. Bonds5

About N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide

N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide (PubChem CID 7000114) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide
PubChem CID7000114
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide
SMILESC=C(C=Cc1ccccc1)NNC(=O)c1ccncc1
InChIInChI=1S/C16H15N3O/c1-13(7-8-14-5-3-2-4-6-14)18-19-16(20)15-9-11-17-12-10-15/h2-12,18H,1H2,(H,19,20)
InChIKeyWBLZXMPESDVRBF-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
(E)-3-phenylprop-2-enoic acid;N-(propan-2-ylideneamino)pyridine-4-carboxamide
CID 139061792
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
CID 3825702
3-[3-(pyridine-4-carbonylamino)phenyl]prop-2-enoic acid
CID 76907802
4-tert-butyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 923514
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid
CID 4141528
azane;2-methylidene-4-phenylbut-3-enoic acid
CID 173161880
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide (CID 7000114) is N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide is C=C(C=Cc1ccccc1)NNC(=O)c1ccncc1.
What is the InChIKey of N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide?
The InChIKey is WBLZXMPESDVRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-13(7-8-14-5-3-2-4-6-14)18-19-16(20)15-9-11-17-12-10-15/h2-12,18H,1H2,(H,19,20).
What are the key properties of N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide?
N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide has a molecular weight of 265.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide is sourced from PubChem (CID 7000114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).