5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide

C19H23N5O3 — CID 52963464

IUPAC5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)N/N=C/c3cccnc3)NN2)cc1OC
InChIInChI=1S/C19H23N5O3/c1-3-27-17-7-6-14(9-18(17)26-2)15-10-16(23-22-15)19(25)24-21-12-13-5-4-8-20-11-13/h4-9,11-12,15-16,22-23H,3,10H2,1-2H3,(H,24,25)/b21-12+
InChIKeyMVVBOVUXQCVCGJ-CIAFOILYSA-N
MW369.43 g/mol
LogP1.55
Rot. Bonds7

About 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide

5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide (PubChem CID 52963464) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
PubChem CID52963464
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)N/N=C/c3cccnc3)NN2)cc1OC
InChIInChI=1S/C19H23N5O3/c1-3-27-17-7-6-14(9-18(17)26-2)15-10-16(23-22-15)19(25)24-21-12-13-5-4-8-20-11-13/h4-9,11-12,15-16,22-23H,3,10H2,1-2H3,(H,24,25)/b21-12+
InChIKeyMVVBOVUXQCVCGJ-CIAFOILYSA-N
XLogP1.55
TPSA96.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137263358
5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 178202265
5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 45053622
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 137270542
N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75972765
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137271636
2-(2-methoxyanilino)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 717684

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide (CID 52963464) is 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide is CCOc1ccc(C2CC(C(=O)N/N=C/c3cccnc3)NN2)cc1OC.
What is the InChIKey of 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The InChIKey is MVVBOVUXQCVCGJ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-3-27-17-7-6-14(9-18(17)26-2)15-10-16(23-22-15)19(25)24-21-12-13-5-4-8-20-11-13/h4-9,11-12,15-16,22-23H,3,10H2,1-2H3,(H,24,25)/b21-12+.
What are the key properties of 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide is sourced from PubChem (CID 52963464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).