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'}

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Related Compounds

N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide
CID 66829372
N~2~-(3,4-dimethylphenyl)-N~2~-(methylsulfonyl)-N-(pyridin-4-ylmethyl)alaninamide
CID 4385813
US9676701, 97 N-(5-(5-((trans)-2-aminocyclopropyl)pyridin-2-yl)-2-fluorophenyl)methanesulfonamide hydrochloride
CID 56650262
N-(3-Methyl-4-(4-phenylpyridin-3-yl)phenyl)methanesulfonamide
CID 56650616
N-[4-(4-cyclopropylpyridin-3-yl)-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 56654385
N-(4-(4-Methylpyridin-3-yl)-3-(trifluoromethyl)phenyl)methanesulfonamide
CID 66714435
N-[4-[[(1S,2R)-2-[6-[3-(trifluoromethyl)phenyl]pyridin-3-yl]cyclopropyl]amino]cyclohexyl]methanesulfonamide
CID 129190998
2-[(3,5-Dimethyl-phenyl)-methanesulfonyl-amino]-N-pyridin-3-ylmethyl-acetamide
CID 647377
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 817422
N-[3-(3-fluorophenyl)-4-pyridinyl]methanesulfonamide
CID 137654849
N-[3-[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]phenyl]acetamide
CID 155560591
US9676701, 98 N-(3-(5-((trans)-2-aminocyclopropyl)pyridin-2-yl)phenyl)ethanesulfonamide hydrochloride
CID 56650263

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).