(E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

C18H18ClFN4O3 — CID 24989006

IUPAC(E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CNc1ncc(/C=C/C(=O)NO)cc1Cl
InChIInChI=1S/C18H18ClFN4O3/c1-24(11-12-2-5-14(20)6-3-12)17(26)10-22-18-15(19)8-13(9-21-18)4-7-16(25)23-27/h2-9,27H,10-11H2,1H3,(H,21,22)(H,23,25)/b7-4+
InChIKeyIOFYZSDXFLSRDW-QPJJXVBHSA-N
MW392.82 g/mol
LogP2.46
Rot. Bonds7

About (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

(E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 24989006) has the molecular formula C18H18ClFN4O3 and a molecular weight of 392.82 g/mol. Its IUPAC name is (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID24989006
Molecular FormulaC18H18ClFN4O3
Molecular Weight392.82 g/mol
Exact Mass392.11
IUPAC Name(E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CNc1ncc(/C=C/C(=O)NO)cc1Cl
InChIInChI=1S/C18H18ClFN4O3/c1-24(11-12-2-5-14(20)6-3-12)17(26)10-22-18-15(19)8-13(9-21-18)4-7-16(25)23-27/h2-9,27H,10-11H2,1H3,(H,21,22)(H,23,25)/b7-4+
InChIKeyIOFYZSDXFLSRDW-QPJJXVBHSA-N
XLogP2.46
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (CID 24989006) is (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is CN(Cc1ccc(F)cc1)C(=O)CNc1ncc(/C=C/C(=O)NO)cc1Cl.
What is the InChIKey of (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is IOFYZSDXFLSRDW-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H18ClFN4O3/c1-24(11-12-2-5-14(20)6-3-12)17(26)10-22-18-15(19)8-13(9-21-18)4-7-16(25)23-27/h2-9,27H,10-11H2,1H3,(H,21,22)(H,23,25)/b7-4+.
What are the key properties of (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
(E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 392.82 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24989006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).