N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide

C21H19N5O3 — CID 10620372

IUPACN-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
SMILESCOc1ccc(OCC(/N=C/c2cccnc2)=N\NC(=O)c2ccncc2)cc1
InChIInChI=1S/C21H19N5O3/c1-28-18-4-6-19(7-5-18)29-15-20(24-14-16-3-2-10-23-13-16)25-26-21(27)17-8-11-22-12-9-17/h2-14H,15H2,1H3,(H,26,27)/b24-14+,25-20+
InChIKeyPWVWHXBEWXVPTO-JYPYDPOKSA-N
MW389.42 g/mol
LogP2.73
Rot. Bonds7

About N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide

N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide (PubChem CID 10620372) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
PubChem CID10620372
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
SMILESCOc1ccc(OCC(/N=C/c2cccnc2)=N\NC(=O)c2ccncc2)cc1
InChIInChI=1S/C21H19N5O3/c1-28-18-4-6-19(7-5-18)29-15-20(24-14-16-3-2-10-23-13-16)25-26-21(27)17-8-11-22-12-9-17/h2-14H,15H2,1H3,(H,26,27)/b24-14+,25-20+
InChIKeyPWVWHXBEWXVPTO-JYPYDPOKSA-N
XLogP2.73
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
CID 5481635
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 122191414
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
CID 177475963
methyl 2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]acetate
CID 51097580
[3-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4566791
methyl 2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetate
CID 5426337
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
N-[1-(2,5-dimethoxyphenyl)-3-oxo-3-[2-(pyridin-3-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
CID 2866870

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide (CID 10620372) is N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide is COc1ccc(OCC(/N=C/c2cccnc2)=N\NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide?
The InChIKey is PWVWHXBEWXVPTO-JYPYDPOKSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-28-18-4-6-19(7-5-18)29-15-20(24-14-16-3-2-10-23-13-16)25-26-21(27)17-8-11-22-12-9-17/h2-14H,15H2,1H3,(H,26,27)/b24-14+,25-20+.
What are the key properties of N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide?
N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 10620372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).