6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide

C16H17N3O — CID 45100248

IUPAC6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(C)nc1)c1ccc(C)cc1
InChIInChI=1S/C16H17N3O/c1-11-4-7-14(8-5-11)13(3)18-19-16(20)15-9-6-12(2)17-10-15/h4-10H,1-3H3,(H,19,20)/b18-13+
InChIKeyYIYNWUQGHLPIQC-QGOAFFKASA-N
MW267.33 g/mol
LogP2.85
Rot. Bonds3

About 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide

6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 45100248) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
PubChem CID45100248
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(C)nc1)c1ccc(C)cc1
InChIInChI=1S/C16H17N3O/c1-11-4-7-14(8-5-11)13(3)18-19-16(20)15-9-6-12(2)17-10-15/h4-10H,1-3H3,(H,19,20)/b18-13+
InChIKeyYIYNWUQGHLPIQC-QGOAFFKASA-N
XLogP2.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1-(4-bromophenyl)ethylideneamino]-6-methylpyridine-3-carboxamide
CID 5370928
[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid
CID 88517112
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
CID 5370842
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide
CID 5338029
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide (CID 45100248) is 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide is C/C(=N\NC(=O)c1ccc(C)nc1)c1ccc(C)cc1.
What is the InChIKey of 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is YIYNWUQGHLPIQC-QGOAFFKASA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-4-7-14(8-5-11)13(3)18-19-16(20)15-9-6-12(2)17-10-15/h4-10H,1-3H3,(H,19,20)/b18-13+.
What are the key properties of 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide?
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 45100248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).