N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide

C20H16ClN5O2 — CID 5481635

IUPACN-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C(COc1ccc(Cl)cc1)\N=C\c1ccncc1)c1ccncc1
InChIInChI=1S/C20H16ClN5O2/c21-17-1-3-18(4-2-17)28-14-19(24-13-15-5-9-22-10-6-15)25-26-20(27)16-7-11-23-12-8-16/h1-13H,14H2,(H,26,27)/b24-13+,25-19-
InChIKeyASXGKTZMPMYHDS-JMFVNPTESA-N
MW393.83 g/mol
LogP3.37
Rot. Bonds6

About N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide

N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide (PubChem CID 5481635) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
PubChem CID5481635
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C(COc1ccc(Cl)cc1)\N=C\c1ccncc1)c1ccncc1
InChIInChI=1S/C20H16ClN5O2/c21-17-1-3-18(4-2-17)28-14-19(24-13-15-5-9-22-10-6-15)25-26-20(27)16-7-11-23-12-8-16/h1-13H,14H2,(H,26,27)/b24-13+,25-19-
InChIKeyASXGKTZMPMYHDS-JMFVNPTESA-N
XLogP3.37
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
CID 10620372
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
N-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 126171061
N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1022163
2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
CID 3405272
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 122191414
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide (CID 5481635) is N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide is O=C(N/N=C(COc1ccc(Cl)cc1)\N=C\c1ccncc1)c1ccncc1.
What is the InChIKey of N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide?
The InChIKey is ASXGKTZMPMYHDS-JMFVNPTESA-N. The full InChI is InChI=1S/C20H16ClN5O2/c21-17-1-3-18(4-2-17)28-14-19(24-13-15-5-9-22-10-6-15)25-26-20(27)16-7-11-23-12-8-16/h1-13H,14H2,(H,26,27)/b24-13+,25-19-.
What are the key properties of N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide?
N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(4-chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 5481635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).