N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C21H18ClN3O2 — CID 110524095

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)N/N=C\c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C21H18ClN3O2/c1-15-7-9-16(10-8-15)14-25-11-3-6-19(21(25)27)20(26)24-23-13-17-4-2-5-18(22)12-17/h2-13H,14H2,1H3,(H,24,26)/b23-13-
InChIKeyPPSRROZAUZZAFO-QRVIBDJDSA-N
MW379.85 g/mol
LogP3.62
Rot. Bonds5

About N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110524095) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110524095
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)N/N=C\c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C21H18ClN3O2/c1-15-7-9-16(10-8-15)14-25-11-3-6-19(21(25)27)20(26)24-23-13-17-4-2-5-18(22)12-17/h2-13H,14H2,1H3,(H,24,26)/b23-13-
InChIKeyPPSRROZAUZZAFO-QRVIBDJDSA-N
XLogP3.62
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.62
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-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524342
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524073
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524328
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524027
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524069
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524556
1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524251
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523990

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110524095) is N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1ccc(Cn2cccc(C(=O)N/N=C\c3cccc(Cl)c3)c2=O)cc1.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is PPSRROZAUZZAFO-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-15-7-9-16(10-8-15)14-25-11-3-6-19(21(25)27)20(26)24-23-13-17-4-2-5-18(22)12-17/h2-13H,14H2,1H3,(H,24,26)/b23-13-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).