N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide

C20H20ClFN4O3S — CID 146296491

IUPACN-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide
SMILESCC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H20ClFN4O3S/c1-11(2)19-17(24-13-6-7-23-18(9-13)26-30(3,28)29)10-15(20(27)25-19)14-8-12(21)4-5-16(14)22/h4-11H,1-3H3,(H,25,27)(H2,23,24,26)
InChIKeyQDFIMWPBVIQKDI-UHFFFAOYSA-N
MW450.92 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide

N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide (PubChem CID 146296491) has the molecular formula C20H20ClFN4O3S and a molecular weight of 450.92 g/mol. Its IUPAC name is N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide
PubChem CID146296491
Molecular FormulaC20H20ClFN4O3S
Molecular Weight450.92 g/mol
Exact Mass450.09
IUPAC NameN-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide
SMILESCC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H20ClFN4O3S/c1-11(2)19-17(24-13-6-7-23-18(9-13)26-30(3,28)29)10-15(20(27)25-19)14-8-12(21)4-5-16(14)22/h4-11H,1-3H3,(H,25,27)(H2,23,24,26)
InChIKeyQDFIMWPBVIQKDI-UHFFFAOYSA-N
XLogP4.47
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

7-Amino-3-(2,6-dichlorophenyl)-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328700
3-(2,6-Dichlorophenyl)-7-{[3-(diethylamino)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328704
3-(2,6-Dichlorophenyl)-7-{[4-(diethylamino)butyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328705
3-(2,6-Dichlorophenyl)-7-{[5-(diethylamino)pentyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328706
3-(2,6-Dichlorophenyl)-7-{[4-(diethylamino)butyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328723
2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide
CID 59617917
3-chloro-N-[3-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]amino]phenyl]benzamide
CID 127047506
N-[1-[3-[1-(4-chloroanilino)-5-oxo-8,9-dihydro-7H-pyrido[4,3-c]azepin-6-yl]propyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 145954490
4-[3-amino-6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 118054595
3-(2-Chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118271310
N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea
CID 24811925
3-Chloro-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1078169

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide (CID 146296491) is N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide is CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide?
The InChIKey is QDFIMWPBVIQKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O3S/c1-11(2)19-17(24-13-6-7-23-18(9-13)26-30(3,28)29)10-15(20(27)25-19)14-8-12(21)4-5-16(14)22/h4-11H,1-3H3,(H,25,27)(H2,23,24,26).
What are the key properties of N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide?
N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide has a molecular weight of 450.92 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 146296491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).