N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide

C19H20FN3O3S — CID 90934682

IUPACN-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide
SMILESCc1cc(F)ccc1-c1cc(NS(C)(=O)=O)nc2c(C(C)C)c(=O)[nH]cc12
InChIInChI=1S/C19H20FN3O3S/c1-10(2)17-18-15(9-21-19(17)24)14(8-16(22-18)23-27(4,25)26)13-6-5-12(20)7-11(13)3/h5-10H,1-4H3,(H,21,24)(H,22,23)
InChIKeyGVVONKFVRVNRDB-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.53
Rot. Bonds4

About N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide

N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide (PubChem CID 90934682) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide
PubChem CID90934682
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide
SMILESCc1cc(F)ccc1-c1cc(NS(C)(=O)=O)nc2c(C(C)C)c(=O)[nH]cc12
InChIInChI=1S/C19H20FN3O3S/c1-10(2)17-18-15(9-21-19(17)24)14(8-16(22-18)23-27(4,25)26)13-6-5-12(20)7-11(13)3/h5-10H,1-4H3,(H,21,24)(H,22,23)
InChIKeyGVVONKFVRVNRDB-UHFFFAOYSA-N
XLogP3.53
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
CID 91064050
N-[6-[1-[2-(3-fluorophenyl)ethyl]-4-methyl-5-(2-methylpropyl)-6-oxopyrimidin-2-yl]cyclohexa-2,4-dien-1-yl]methanesulfonamide
CID 163762347
2-[(2-Fluorophenyl)methyl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135495959

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide?
The IUPAC name of N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide (CID 90934682) is N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide is Cc1cc(F)ccc1-c1cc(NS(C)(=O)=O)nc2c(C(C)C)c(=O)[nH]cc12.
What is the InChIKey of N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide?
The InChIKey is GVVONKFVRVNRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-10(2)17-18-15(9-21-19(17)24)14(8-16(22-18)23-27(4,25)26)13-6-5-12(20)7-11(13)3/h5-10H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide?
N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide is sourced from PubChem (CID 90934682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).