3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid

C23H19N3O3 — CID 10362658

IUPAC3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid
SMILESCN(C)/C=N/c1c(C(=O)O)oc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C23H19N3O3/c1-26(2)14-24-20-19-17(15-9-5-3-6-10-15)13-18(16-11-7-4-8-12-16)25-22(19)29-21(20)23(27)28/h3-14H,1-2H3,(H,27,28)/b24-14+
InChIKeyZXXXMQMHFSXKGA-ZVHZXABRSA-N
MW385.42 g/mol
LogP5.08
Rot. Bonds5

About 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid

3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid (PubChem CID 10362658) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid
PubChem CID10362658
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid
SMILESCN(C)/C=N/c1c(C(=O)O)oc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C23H19N3O3/c1-26(2)14-24-20-19-17(15-9-5-3-6-10-15)13-18(16-11-7-4-8-12-16)25-22(19)29-21(20)23(27)28/h3-14H,1-2H3,(H,27,28)/b24-14+
InChIKeyZXXXMQMHFSXKGA-ZVHZXABRSA-N
XLogP5.08
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide
CID 10324505
ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate
CID 10408253
N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 171366783
(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone
CID 11840724
ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 2816111
5-(3-hydroxypropyl)-4-methyl-11,13-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 10454293
4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
2-hydroxyethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 71943087
3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 102534295
N-(dimethylaminomethylidene)azulene-2-carboxamide
CID 141302363
N,N,2-trimethyl-6-phenylpyrimidine-4-carboxamide
CID 12562155
3-azido-N-methyl-N,4,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 139267566

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid (CID 10362658) is 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid is CN(C)/C=N/c1c(C(=O)O)oc2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ZXXXMQMHFSXKGA-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-26(2)14-24-20-19-17(15-9-5-3-6-10-15)13-18(16-11-7-4-8-12-16)25-22(19)29-21(20)23(27)28/h3-14H,1-2H3,(H,27,28)/b24-14+.
What are the key properties of 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid?
3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylaminomethylideneamino)-4,6-diphenylfuro[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 10362658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).