N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide

C15H15N3O2 — CID 690991

IUPACN-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccncc1
InChIInChI=1S/C15H15N3O2/c1-2-20-14-6-4-3-5-13(14)11-17-18-15(19)12-7-9-16-10-8-12/h3-11H,2H2,1H3,(H,18,19)
InChIKeyWAFHBRSLNGYCQP-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.24
Rot. Bonds5

About N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 690991) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID690991
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccncc1
InChIInChI=1S/C15H15N3O2/c1-2-20-14-6-4-3-5-13(14)11-17-18-15(19)12-7-9-16-10-8-12/h3-11H,2H2,1H3,(H,18,19)
InChIKeyWAFHBRSLNGYCQP-UHFFFAOYSA-N
XLogP2.24
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.24
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)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 6090639
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4004160
4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 6875276
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 690991) is N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide is CCOc1ccccc1C=NNC(=O)c1ccncc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is WAFHBRSLNGYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-20-14-6-4-3-5-13(14)11-17-18-15(19)12-7-9-16-10-8-12/h3-11H,2H2,1H3,(H,18,19).
What are the key properties of N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 690991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).