N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide

C24H25N3O2 — CID 46943954

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(23(28)26-16-17-9-11-19(12-10-17)27(2)3)15-21-20(13-14-25-22(21)29-24)18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyNJNPXPUPXMQPCI-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.82
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46943954) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46943954
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)C2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(23(28)26-16-17-9-11-19(12-10-17)27(2)3)15-21-20(13-14-25-22(21)29-24)18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyNJNPXPUPXMQPCI-UHFFFAOYSA-N
XLogP3.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46943954) is N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide is CN(C)c1ccc(CNC(=O)C2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is NJNPXPUPXMQPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-24(23(28)26-16-17-9-11-19(12-10-17)27(2)3)15-21-20(13-14-25-22(21)29-24)18-7-5-4-6-8-18/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-4-phenyl-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46943954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).