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

C23H21N3O3 — CID 46948117

IUPACN-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1
InChIInChI=1S/C23H21N3O3/c1-23(22(28)26-14-15-5-3-2-4-6-15)13-19-18(11-12-25-21(19)29-23)16-7-9-17(10-8-16)20(24)27/h2-12H,13-14H2,1H3,(H2,24,27)(H,26,28)
InChIKeyBHGPBLGLANEFKT-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.86
Rot. Bonds5

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

N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46948117) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46948117
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1
InChIInChI=1S/C23H21N3O3/c1-23(22(28)26-14-15-5-3-2-4-6-15)13-19-18(11-12-25-21(19)29-23)16-7-9-17(10-8-16)20(24)27/h2-12H,13-14H2,1H3,(H2,24,27)(H,26,28)
InChIKeyBHGPBLGLANEFKT-UHFFFAOYSA-N
XLogP2.86
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46948117) is N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is CC1(C(=O)NCc2ccccc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1.
What is the InChIKey of N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is BHGPBLGLANEFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-23(22(28)26-14-15-5-3-2-4-6-15)13-19-18(11-12-25-21(19)29-23)16-7-9-17(10-8-16)20(24)27/h2-12H,13-14H2,1H3,(H2,24,27)(H,26,28).
What are the key properties of N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-carbamoylphenyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46948117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).