N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

C24H26FN3O — CID 53160825

IUPACN-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2c(n1C)CCN(Cc1cccc(F)c1)C2
InChIInChI=1S/C24H26FN3O/c1-26(15-18-7-4-3-5-8-18)24(29)23-14-20-17-28(12-11-22(20)27(23)2)16-19-9-6-10-21(25)13-19/h3-10,13-14H,11-12,15-17H2,1-2H3
InChIKeyXSLUIZVZCLFORT-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.99
Rot. Bonds5

About N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160825) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160825
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC NameN-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2c(n1C)CCN(Cc1cccc(F)c1)C2
InChIInChI=1S/C24H26FN3O/c1-26(15-18-7-4-3-5-8-18)24(29)23-14-20-17-28(12-11-22(20)27(23)2)16-19-9-6-10-21(25)13-19/h3-10,13-14H,11-12,15-17H2,1-2H3
InChIKeyXSLUIZVZCLFORT-UHFFFAOYSA-N
XLogP3.99
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160825) is N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc2c(n1C)CCN(Cc1cccc(F)c1)C2.
What is the InChIKey of N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is XSLUIZVZCLFORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-26(15-18-7-4-3-5-8-18)24(29)23-14-20-17-28(12-11-22(20)27(23)2)16-19-9-6-10-21(25)13-19/h3-10,13-14H,11-12,15-17H2,1-2H3.
What are the key properties of N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).