5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide

C21H21N3O3 — CID 6874482

IUPAC5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccnc3)o2)cc1
InChIInChI=1S/C21H21N3O3/c1-2-4-16-6-8-18(9-7-16)26-15-19-10-11-20(27-19)21(25)24-23-14-17-5-3-12-22-13-17/h3,5-14H,2,4,15H2,1H3,(H,24,25)/b23-14+
InChIKeyXEDNYLHUSBGMAK-OEAKJJBVSA-N
MW363.42 g/mol
LogP3.97
Rot. Bonds8

About 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide

5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide (PubChem CID 6874482) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
PubChem CID6874482
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccnc3)o2)cc1
InChIInChI=1S/C21H21N3O3/c1-2-4-16-6-8-18(9-7-16)26-15-19-10-11-20(27-19)21(25)24-23-14-17-5-3-12-22-13-17/h3,5-14H,2,4,15H2,1H3,(H,24,25)/b23-14+
InChIKeyXEDNYLHUSBGMAK-OEAKJJBVSA-N
XLogP3.97
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6042930
5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6874738
N-methyl-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454672
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(E)-(4-iodophenyl)methylideneamino]furan-2-carboxamide
CID 126415008
5-[(4-nitropyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
CID 6873652
ethyl (2S)-2-[4-[(E)-[[5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carbonyl]hydrazinylidene]methyl]phenoxy]propanoate
CID 126410063
N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
CID 135729375
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 137058304
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
N-(2-cyanophenyl)-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454573

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide (CID 6874482) is 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide is CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccnc3)o2)cc1.
What is the InChIKey of 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide?
The InChIKey is XEDNYLHUSBGMAK-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-4-16-6-8-18(9-7-16)26-15-19-10-11-20(27-19)21(25)24-23-14-17-5-3-12-22-13-17/h3,5-14H,2,4,15H2,1H3,(H,24,25)/b23-14+.
What are the key properties of 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide?
5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6874482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).