N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C21H17ClFN3O2 — CID 110523154

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)N/N=C\c3c(F)cccc3Cl)c2=O)c1
InChIInChI=1S/C21H17ClFN3O2/c1-14-5-2-6-15(11-14)13-26-10-4-7-16(21(26)28)20(27)25-24-12-17-18(22)8-3-9-19(17)23/h2-12H,13H2,1H3,(H,25,27)/b24-12-
InChIKeyFNLKOVWUVDLGHE-MSXFZWOLSA-N
MW397.84 g/mol
LogP3.76
Rot. Bonds5

About N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110523154) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110523154
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)N/N=C\c3c(F)cccc3Cl)c2=O)c1
InChIInChI=1S/C21H17ClFN3O2/c1-14-5-2-6-15(11-14)13-26-10-4-7-16(21(26)28)20(27)25-24-12-17-18(22)8-3-9-19(17)23/h2-12H,13H2,1H3,(H,25,27)/b24-12-
InChIKeyFNLKOVWUVDLGHE-MSXFZWOLSA-N
XLogP3.76
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
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-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523143
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523148
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524447
[4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate
CID 110523171
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524069
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524175
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524342
N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110523154) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1cccc(Cn2cccc(C(=O)N/N=C\c3c(F)cccc3Cl)c2=O)c1.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is FNLKOVWUVDLGHE-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-14-5-2-6-15(11-14)13-26-10-4-7-16(21(26)28)20(27)25-24-12-17-18(22)8-3-9-19(17)23/h2-12H,13H2,1H3,(H,25,27)/b24-12-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 397.84 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).