ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate

C22H23N3O4 — CID 10408253

IUPACethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(-c3ccccc3)cc(C)c2c1/N=C/N1CCOCC1
InChIInChI=1S/C22H23N3O4/c1-3-28-22(26)20-19(23-14-25-9-11-27-12-10-25)18-15(2)13-17(24-21(18)29-20)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3/b23-14+
InChIKeyNNYWQNUBMFPEIL-OEAKJJBVSA-N
MW393.44 g/mol
LogP3.97
Rot. Bonds5

About ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate

ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate (PubChem CID 10408253) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate
PubChem CID10408253
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Nameethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(-c3ccccc3)cc(C)c2c1/N=C/N1CCOCC1
InChIInChI=1S/C22H23N3O4/c1-3-28-22(26)20-19(23-14-25-9-11-27-12-10-25)18-15(2)13-17(24-21(18)29-20)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3/b23-14+
InChIKeyNNYWQNUBMFPEIL-OEAKJJBVSA-N
XLogP3.97
TPSA77.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 10342251
3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid
CID 10362658
ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate
CID 91872822
ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 2816111
4-methyl-3-(1-morpholin-4-ylpropylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 10409250
ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 91872812
(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone
CID 11840724
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide
CID 10324505
[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 171315340
ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate
CID 90833267
ethyl 3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
CID 5140172

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate (CID 10408253) is ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1oc2nc(-c3ccccc3)cc(C)c2c1/N=C/N1CCOCC1.
What is the InChIKey of ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is NNYWQNUBMFPEIL-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-28-22(26)20-19(23-14-25-9-11-27-12-10-25)18-15(2)13-17(24-21(18)29-20)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3/b23-14+.
What are the key properties of ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate?
ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 10408253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).