N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide

C19H21F2N3O2 — CID 167797561

IUPACN-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide
SMILESCN(C)CCOc1ccc(C(=O)NC2CCc3cc(F)c(F)cc32)cn1
InChIInChI=1S/C19H21F2N3O2/c1-24(2)7-8-26-18-6-4-13(11-22-18)19(25)23-17-5-3-12-9-15(20)16(21)10-14(12)17/h4,6,9-11,17H,3,5,7-8H2,1-2H3,(H,23,25)
InChIKeyWMMXHEUUHLEBEI-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.72
Rot. Bonds6

About N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide

N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide (PubChem CID 167797561) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide
PubChem CID167797561
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide
SMILESCN(C)CCOc1ccc(C(=O)NC2CCc3cc(F)c(F)cc32)cn1
InChIInChI=1S/C19H21F2N3O2/c1-24(2)7-8-26-18-6-4-13(11-22-18)19(25)23-17-5-3-12-9-15(20)16(21)10-14(12)17/h4,6,9-11,17H,3,5,7-8H2,1-2H3,(H,23,25)
InChIKeyWMMXHEUUHLEBEI-UHFFFAOYSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide?
The IUPAC name of N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide (CID 167797561) is N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide is CN(C)CCOc1ccc(C(=O)NC2CCc3cc(F)c(F)cc32)cn1.
What is the InChIKey of N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide?
The InChIKey is WMMXHEUUHLEBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-24(2)7-8-26-18-6-4-13(11-22-18)19(25)23-17-5-3-12-9-15(20)16(21)10-14(12)17/h4,6,9-11,17H,3,5,7-8H2,1-2H3,(H,23,25).
What are the key properties of N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide?
N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 167797561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).