[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide

C21H20N6O2S — CID 135344916

IUPAC[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide
SMILESCc1ccncc1-c1cc2cc(Nc3ccc(CS(N)(=O)=O)cc3)ncc2c(N)n1
InChIInChI=1S/C21H20N6O2S/c1-13-6-7-24-10-17(13)19-8-15-9-20(25-11-18(15)21(22)27-19)26-16-4-2-14(3-5-16)12-30(23,28)29/h2-11H,12H2,1H3,(H2,22,27)(H,25,26)(H2,23,28,29)
InChIKeyZWXFZNWXLQNYHK-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.11
Rot. Bonds5

About [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide

[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide (PubChem CID 135344916) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide
PubChem CID135344916
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide
SMILESCc1ccncc1-c1cc2cc(Nc3ccc(CS(N)(=O)=O)cc3)ncc2c(N)n1
InChIInChI=1S/C21H20N6O2S/c1-13-6-7-24-10-17(13)19-8-15-9-20(25-11-18(15)21(22)27-19)26-16-4-2-14(3-5-16)12-30(23,28)29/h2-11H,12H2,1H3,(H2,22,27)(H,25,26)(H2,23,28,29)
InChIKeyZWXFZNWXLQNYHK-UHFFFAOYSA-N
XLogP3.11
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide (CID 135344916) is [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide is Cc1ccncc1-c1cc2cc(Nc3ccc(CS(N)(=O)=O)cc3)ncc2c(N)n1.
What is the InChIKey of [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide?
The InChIKey is ZWXFZNWXLQNYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-13-6-7-24-10-17(13)19-8-15-9-20(25-11-18(15)21(22)27-19)26-16-4-2-14(3-5-16)12-30(23,28)29/h2-11H,12H2,1H3,(H2,22,27)(H,25,26)(H2,23,28,29).
What are the key properties of [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide?
[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide has a molecular weight of 420.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 135344916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).