N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide

C19H22FN3O3S — CID 145286722

IUPACN-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide
SMILESCS(=O)(=O)NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC=O)c1
InChIInChI=1S/C19H22FN3O3S/c1-27(25,26)23-19(9-6-14-2-3-14,15-7-10-21-11-8-15)16-4-5-17(20)18(12-16)22-13-24/h4-5,7-8,10-14,23H,2-3,6,9H2,1H3,(H,22,24)
InChIKeyACXRHDSDSRSUHG-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.77
Rot. Bonds9

About N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide

N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide (PubChem CID 145286722) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide.

Molecular Properties

Compound NameN-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide
PubChem CID145286722
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide
SMILESCS(=O)(=O)NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC=O)c1
InChIInChI=1S/C19H22FN3O3S/c1-27(25,26)23-19(9-6-14-2-3-14,15-7-10-21-11-8-15)16-4-5-17(20)18(12-16)22-13-24/h4-5,7-8,10-14,23H,2-3,6,9H2,1H3,(H,22,24)
InChIKeyACXRHDSDSRSUHG-UHFFFAOYSA-N
XLogP2.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide 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-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide?
The IUPAC name of N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide (CID 145286722) is N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide.
What is the SMILES notation for N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide?
The canonical SMILES for N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide is CS(=O)(=O)NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC=O)c1.
What is the InChIKey of N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide?
The InChIKey is ACXRHDSDSRSUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-27(25,26)23-19(9-6-14-2-3-14,15-7-10-21-11-8-15)16-4-5-17(20)18(12-16)22-13-24/h4-5,7-8,10-14,23H,2-3,6,9H2,1H3,(H,22,24).
What are the key properties of N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide?
N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide has a molecular weight of 391.47 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]formamide is sourced from PubChem (CID 145286722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).