N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide

C25H23ClFN5O2 — CID 11820998

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23ClFN5O2/c26-23-4-2-1-3-20(23)17-29-32(25(34)19-9-11-28-12-10-19)18-24(33)31-15-13-30(14-16-31)22-7-5-21(27)6-8-22/h1-12,17H,13-16,18H2/b29-17+
InChIKeyRPQGRAJGQLQEFE-STBIYBPSSA-N
MW479.94 g/mol
LogP3.70
Rot. Bonds6

About N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide

N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 11820998) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID11820998
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23ClFN5O2/c26-23-4-2-1-3-20(23)17-29-32(25(34)19-9-11-28-12-10-19)18-24(33)31-15-13-30(14-16-31)22-7-5-21(27)6-8-22/h1-12,17H,13-16,18H2/b29-17+
InChIKeyRPQGRAJGQLQEFE-STBIYBPSSA-N
XLogP3.70
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 11821000
N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 11821012
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9254024
N-(2,3-dichlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1320179
2-chloro-N-[2-[[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 111165221
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
N-(2-chlorophenyl)-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-methylamino]acetamide
CID 34209125
(E)-3-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]prop-2-enamide
CID 34999381
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
N-benzoyl-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 154037448

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide (CID 11820998) is N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide is O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is RPQGRAJGQLQEFE-STBIYBPSSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c26-23-4-2-1-3-20(23)17-29-32(25(34)19-9-11-28-12-10-19)18-24(33)31-15-13-30(14-16-31)22-7-5-21(27)6-8-22/h1-12,17H,13-16,18H2/b29-17+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 479.94 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 11820998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).