N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

C26H25N3O3 — CID 75067607

IUPACN-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(C=CC(=O)N2CCCC(c3cccc4ccccc34)C2)n1)NO
InChIInChI=1S/C26H25N3O3/c30-25(28-32)15-13-21-9-4-10-22(27-21)14-16-26(31)29-17-5-8-20(18-29)24-12-3-7-19-6-1-2-11-23(19)24/h1-4,6-7,9-16,20,32H,5,8,17-18H2,(H,28,30)
InChIKeyVUDMITNFNFBNLC-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.17
Rot. Bonds5

About N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 75067607) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
PubChem CID75067607
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(C=CC(=O)N2CCCC(c3cccc4ccccc34)C2)n1)NO
InChIInChI=1S/C26H25N3O3/c30-25(28-32)15-13-21-9-4-10-22(27-21)14-16-26(31)29-17-5-8-20(18-29)24-12-3-7-19-6-1-2-11-23(19)24/h1-4,6-7,9-16,20,32H,5,8,17-18H2,(H,28,30)
InChIKeyVUDMITNFNFBNLC-UHFFFAOYSA-N
XLogP4.17
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[6-[(E)-3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 44553479
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[(3S)-3-phenylpiperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 44554331
N-hydroxy-3-[6-[3-(3-naphthalen-2-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067653
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-(3-phenylpyrrolidin-1-yl)prop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 44553807
N-hydroxy-3-[6-[3-[3-(3-methylphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067604
N-hydroxy-3-[6-[3-oxo-3-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067881
N-hydroxy-3-[6-[3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067879
(E)-3-[6-[(E)-3-(4-benzoylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 44552941
(E)-N-hydroxy-3-[6-[(E)-3-(4-methyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 44553989
(E)-3-[6-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 44552937
(E)-3-[6-[(E)-3-(4-acetyl-3-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 44554156
N-hydroxy-3-[6-[3-oxo-3-(2-phenylpiperidin-1-yl)prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067710

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 75067607) is N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is O=C(C=Cc1cccc(C=CC(=O)N2CCCC(c3cccc4ccccc34)C2)n1)NO.
What is the InChIKey of N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is VUDMITNFNFBNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-25(28-32)15-13-21-9-4-10-22(27-21)14-16-26(31)29-17-5-8-20(18-29)24-12-3-7-19-6-1-2-11-23(19)24/h1-4,6-7,9-16,20,32H,5,8,17-18H2,(H,28,30).
What are the key properties of N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 427.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 75067607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).