4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide

C24H21FN4O3S — CID 176665328

IUPAC4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NCc2cc3nc(-c4cccc(F)n4)ccc3cn2)cc1S(C)(=O)=O
InChIInChI=1S/C24H21FN4O3S/c1-3-15-7-8-16(11-22(15)33(2,31)32)24(30)27-14-18-12-21-17(13-26-18)9-10-20(28-21)19-5-4-6-23(25)29-19/h4-13H,3,14H2,1-2H3,(H,27,30)
InChIKeySMHMRVDNNRREFA-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.73
Rot. Bonds6

About 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide

4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide (PubChem CID 176665328) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
PubChem CID176665328
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC Name4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NCc2cc3nc(-c4cccc(F)n4)ccc3cn2)cc1S(C)(=O)=O
InChIInChI=1S/C24H21FN4O3S/c1-3-15-7-8-16(11-22(15)33(2,31)32)24(30)27-14-18-12-21-17(13-26-18)9-10-20(28-21)19-5-4-6-23(25)29-19/h4-13H,3,14H2,1-2H3,(H,27,30)
InChIKeySMHMRVDNNRREFA-UHFFFAOYSA-N
XLogP3.73
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
N-[[2-[6-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279
4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide
CID 170545018
6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide
CID 176666852
N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665510
N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 164906932
4-(difluoromethyl)-N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
CID 170544628
N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666907
N-[[2-[6-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-chloro-3-methylsulfonylbenzamide
CID 170544789
4-chloro-N-[(2-chloro-1,6-naphthyridin-7-yl)methyl]-3-methylsulfanylbenzamide
CID 176665098
N-[[2-[6-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-5-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-(2-hydroxyethylsulfonyl)-4-methylbenzamide
CID 176665579
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide;molecular hydrogen
CID 176665222

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide (CID 176665328) is 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide is CCc1ccc(C(=O)NCc2cc3nc(-c4cccc(F)n4)ccc3cn2)cc1S(C)(=O)=O.
What is the InChIKey of 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide?
The InChIKey is SMHMRVDNNRREFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-3-15-7-8-16(11-22(15)33(2,31)32)24(30)27-14-18-12-21-17(13-26-18)9-10-20(28-21)19-5-4-6-23(25)29-19/h4-13H,3,14H2,1-2H3,(H,27,30).
What are the key properties of 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide?
4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide has a molecular weight of 464.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 176665328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).