2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine

C26H20N6 — CID 123842294

IUPAC2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine
SMILESCc1cc(-c2c#cc(CNc3nccc4nc(-c5ccnc(C)c5)ccc34)cn2)ccn1
InChIInChI=1S/C26H20N6/c1-17-13-20(7-10-27-17)23-5-3-19(15-30-23)16-31-26-22-4-6-24(32-25(22)9-12-29-26)21-8-11-28-18(2)14-21/h4,6-15H,16H2,1-2H3,(H,29,31)
InChIKeyOUVYJHJYUMKEGY-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.98
Rot. Bonds5

About 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine

2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine (PubChem CID 123842294) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine
PubChem CID123842294
Molecular FormulaC26H20N6
Molecular Weight416.49 g/mol
Exact Mass416.17
IUPAC Name2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine
SMILESCc1cc(-c2c#cc(CNc3nccc4nc(-c5ccnc(C)c5)ccc34)cn2)ccn1
InChIInChI=1S/C26H20N6/c1-17-13-20(7-10-27-17)23-5-3-19(15-30-23)16-31-26-22-4-6-24(32-25(22)9-12-29-26)21-8-11-28-18(2)14-21/h4,6-15H,16H2,1-2H3,(H,29,31)
InChIKeyOUVYJHJYUMKEGY-UHFFFAOYSA-N
XLogP4.98
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine (CID 123842294) is 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine is Cc1cc(-c2c#cc(CNc3nccc4nc(-c5ccnc(C)c5)ccc34)cn2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine?
The InChIKey is OUVYJHJYUMKEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c1-17-13-20(7-10-27-17)23-5-3-19(15-30-23)16-31-26-22-4-6-24(32-25(22)9-12-29-26)21-8-11-28-18(2)14-21/h4,6-15H,16H2,1-2H3,(H,29,31).
What are the key properties of 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine?
2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine has a molecular weight of 416.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-4,5-didehydropyridin-3-yl]methyl]-1,6-naphthyridin-5-amine is sourced from PubChem (CID 123842294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).