N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C15H15N3O2 — CID 7334486

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1/C=N/NC(=O)c1ccc(C)nc1
InChIInChI=1S/C15H15N3O2/c1-11-7-8-13(9-16-11)15(19)18-17-10-12-5-3-4-6-14(12)20-2/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKeyYMRHHMRYQKYHIJ-LICLKQGHSA-N
MW269.30 g/mol
LogP2.16
Rot. Bonds4

About N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 7334486) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID7334486
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1/C=N/NC(=O)c1ccc(C)nc1
InChIInChI=1S/C15H15N3O2/c1-11-7-8-13(9-16-11)15(19)18-17-10-12-5-3-4-6-14(12)20-2/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKeyYMRHHMRYQKYHIJ-LICLKQGHSA-N
XLogP2.16
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 7334486) is N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide is COc1ccccc1/C=N/NC(=O)c1ccc(C)nc1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is YMRHHMRYQKYHIJ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-7-8-13(9-16-11)15(19)18-17-10-12-5-3-4-6-14(12)20-2/h3-10H,1-2H3,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 7334486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).