N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide

C16H16N4O — CID 12764873

IUPACN'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide
SMILESO=C(NNC1=NCC(c2ccccc2)C1)c1cccnc1
InChIInChI=1S/C16H16N4O/c21-16(13-7-4-8-17-10-13)20-19-15-9-14(11-18-15)12-5-2-1-3-6-12/h1-8,10,14H,9,11H2,(H,18,19)(H,20,21)
InChIKeyAPLXLHFRWIMRSZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.90
Rot. Bonds2

About N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide

N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide (PubChem CID 12764873) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide
PubChem CID12764873
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide
SMILESO=C(NNC1=NCC(c2ccccc2)C1)c1cccnc1
InChIInChI=1S/C16H16N4O/c21-16(13-7-4-8-17-10-13)20-19-15-9-14(11-18-15)12-5-2-1-3-6-12/h1-8,10,14H,9,11H2,(H,18,19)(H,20,21)
InChIKeyAPLXLHFRWIMRSZ-UHFFFAOYSA-N
XLogP1.90
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.90
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-phenylcyclohexen-1-yl)pyridine-3-carbohydrazide
CID 3462848
N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
CID 556058
N'-pyridin-2-ylpyridine-3-carbohydrazide
CID 69416476
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
4-[2-(pyridine-3-carbonyl)hydrazinyl]benzenesulfonamide
CID 10661301
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide;cyclopropylbenzene
CID 171631390
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
N'-(2-phenylprop-1-enyl)pyridine-3-carbohydrazide
CID 4745339
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide (CID 12764873) is N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide is O=C(NNC1=NCC(c2ccccc2)C1)c1cccnc1.
What is the InChIKey of N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide?
The InChIKey is APLXLHFRWIMRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(13-7-4-8-17-10-13)20-19-15-9-14(11-18-15)12-5-2-1-3-6-12/h1-8,10,14H,9,11H2,(H,18,19)(H,20,21).
What are the key properties of N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide?
N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide has a molecular weight of 280.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide is sourced from PubChem (CID 12764873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).