N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide

C17H18N4O2 — CID 3412755

IUPACN-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide
SMILESCC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C17H18N4O2/c1-13(11-14-5-3-2-4-6-14)20-21-16(22)12-19-17(23)15-7-9-18-10-8-15/h2-10H,11-12H2,1H3,(H,19,23)(H,21,22)
InChIKeyFIJWUERIJXMHQC-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.55
Rot. Bonds6

About N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide

N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide (PubChem CID 3412755) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide
PubChem CID3412755
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide
SMILESCC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C17H18N4O2/c1-13(11-14-5-3-2-4-6-14)20-21-16(22)12-19-17(23)15-7-9-18-10-8-15/h2-10H,11-12H2,1H3,(H,19,23)(H,21,22)
InChIKeyFIJWUERIJXMHQC-UHFFFAOYSA-N
XLogP1.55
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
CID 9153067
N-[2-oxo-2-[(2Z)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6281402
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide
CID 16761074
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 58188881
2-phenylacetic acid;N-(1-pyridin-4-ylethylideneamino)butanamide
CID 161253554
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097
N-[(E)-1-phenylpropan-2-ylideneamino]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6290902

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide (CID 3412755) is N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide is CC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccncc1.
What is the InChIKey of N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide?
The InChIKey is FIJWUERIJXMHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13(11-14-5-3-2-4-6-14)20-21-16(22)12-19-17(23)15-7-9-18-10-8-15/h2-10H,11-12H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide?
N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 3412755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).