(E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

C23H26N4O3 — CID 24756975

IUPAC(E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESCN1CCN(Cc2ccccc2C(=O)/C=C/c2ccc(/C=C/C(=O)NO)nc2)CC1
InChIInChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-4-2-3-5-21(19)22(28)10-7-18-6-8-20(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-7+,11-9+
InChIKeyBGEMMLGLCIAYAX-PPZOTWNKSA-N
MW406.49 g/mol
LogP2.24
Rot. Bonds7

About (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (PubChem CID 24756975) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
PubChem CID24756975
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
SMILESCN1CCN(Cc2ccccc2C(=O)/C=C/c2ccc(/C=C/C(=O)NO)nc2)CC1
InChIInChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-4-2-3-5-21(19)22(28)10-7-18-6-8-20(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-7+,11-9+
InChIKeyBGEMMLGLCIAYAX-PPZOTWNKSA-N
XLogP2.24
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Daporinad
CID 6914657
MC1568
CID 11381449
Piberaline
CID 65975
(2E)-N-hydroxy-3-(1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl)prop-2-enamide
CID 10379137
Asoxime cation
CID 135412778
benzo[c][1,5]naphthyridin-6(5H)-one
CID 10535869
N-(2-aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11633344
3-Methyl-n-(1-oxy-3',4',5',6'-tetrahydro-2'h-(2,4'-bipyridine)-1'-ylmethyl)benzamide
CID 16094676
[3-Amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
CID 24745781
Aminopyridine N-oxide, 46
CID 24745785
Aminopyridine N-oxide, 34
CID 44249910
Aminopyridine N-oxide, 36
CID 44249911

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide (CID 24756975) is (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is CN1CCN(Cc2ccccc2C(=O)/C=C/c2ccc(/C=C/C(=O)NO)nc2)CC1.
What is the InChIKey of (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
The InChIKey is BGEMMLGLCIAYAX-PPZOTWNKSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-4-2-3-5-21(19)22(28)10-7-18-6-8-20(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-7+,11-9+.
What are the key properties of (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide has a molecular weight of 406.49 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[5-[(E)-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 24756975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).