6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C26H27N5O3S — CID 66886964

IUPAC6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCc1c(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)cncc1S(C)(=O)=O
InChIInChI=1S/C26H27N5O3S/c1-16-21(14-28-15-23(16)35(2,33)34)22-13-19-9-12-29-26(32)24(19)25(31-22)30-20-5-3-17(4-6-20)18-7-10-27-11-8-18/h3-6,9,12-15,18,27H,7-8,10-11H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyXLUDMPSHCVPKOP-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.91
Rot. Bonds5

About 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 66886964) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID66886964
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCc1c(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)cncc1S(C)(=O)=O
InChIInChI=1S/C26H27N5O3S/c1-16-21(14-28-15-23(16)35(2,33)34)22-13-19-9-12-29-26(32)24(19)25(31-22)30-20-5-3-17(4-6-20)18-7-10-27-11-8-18/h3-6,9,12-15,18,27H,7-8,10-11H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyXLUDMPSHCVPKOP-UHFFFAOYSA-N
XLogP3.91
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one with MolForge

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Related Compounds

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 90153688
n-Isopropyl-1-[3-(4-methylsulfonylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10115569
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155517004
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008
N-cyclopropyl-1-(3-(6-(methylsulfonyl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10183035
2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide
CID 10275824
US10981893, Example 28
CID 124173408
N-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201718
N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201851
4-(2-ethylsulfonylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 155523996
7-(4-Fluoro-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923115

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 66886964) is 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is Cc1c(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)cncc1S(C)(=O)=O.
What is the InChIKey of 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is XLUDMPSHCVPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-16-21(14-28-15-23(16)35(2,33)34)22-13-19-9-12-29-26(32)24(19)25(31-22)30-20-5-3-17(4-6-20)18-7-10-27-11-8-18/h3-6,9,12-15,18,27H,7-8,10-11H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 489.60 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-5-methylsulfonyl-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66886964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).