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

C24H22N4O2 — CID 110524057

IUPACN-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)N/N=C\c3cn(C)c4ccccc34)c2=O)cc1
InChIInChI=1S/C24H22N4O2/c1-17-9-11-18(12-10-17)15-28-13-5-7-21(24(28)30)23(29)26-25-14-19-16-27(2)22-8-4-3-6-20(19)22/h3-14,16H,15H2,1-2H3,(H,26,29)/b25-14-
InChIKeyYMZIQYHWLSDCQT-QFEZKATASA-N
MW398.47 g/mol
LogP3.46
Rot. Bonds5

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

N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110524057) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110524057
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)N/N=C\c3cn(C)c4ccccc34)c2=O)cc1
InChIInChI=1S/C24H22N4O2/c1-17-9-11-18(12-10-17)15-28-13-5-7-21(24(28)30)23(29)26-25-14-19-16-27(2)22-8-4-3-6-20(19)22/h3-14,16H,15H2,1-2H3,(H,26,29)/b25-14-
InChIKeyYMZIQYHWLSDCQT-QFEZKATASA-N
XLogP3.46
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
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-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524069
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524066
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874500
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524608
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524073
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874511

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110524057) is N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1ccc(Cn2cccc(C(=O)N/N=C\c3cn(C)c4ccccc34)c2=O)cc1.
What is the InChIKey of N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is YMZIQYHWLSDCQT-QFEZKATASA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-9-11-18(12-10-17)15-28-13-5-7-21(24(28)30)23(29)26-25-14-19-16-27(2)22-8-4-3-6-20(19)22/h3-14,16H,15H2,1-2H3,(H,26,29)/b25-14-.
What are the key properties of N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).