N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

C14H13N3O2 — CID 6787085

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccncc2)c1
InChIInChI=1S/C14H13N3O2/c1-19-13-4-2-3-11(9-13)10-16-17-14(18)12-5-7-15-8-6-12/h2-10H,1H3,(H,17,18)/b16-10+
InChIKeyQSZLETGWRTXCSH-MHWRWJLKSA-N
MW255.28 g/mol
LogP1.85
Rot. Bonds4

About N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6787085) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID6787085
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccncc2)c1
InChIInChI=1S/C14H13N3O2/c1-19-13-4-2-3-11(9-13)10-16-17-14(18)12-5-7-15-8-6-12/h2-10H,1H3,(H,17,18)/b16-10+
InChIKeyQSZLETGWRTXCSH-MHWRWJLKSA-N
XLogP1.85
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.85
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)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 6787085) is N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1cccc(/C=N/NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is QSZLETGWRTXCSH-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-13-4-2-3-11(9-13)10-16-17-14(18)12-5-7-15-8-6-12/h2-10H,1H3,(H,17,18)/b16-10+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6787085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).