6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine

C27H25N9 — CID 102150046

IUPAC6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine
SMILESCN(c1cccc(Nc2ccccn2)n1)c1cccc(N(C)c2cccc(Nc3ccccn3)n2)n1
InChIInChI=1S/C27H25N9/c1-35(24-14-7-12-22(32-24)30-20-10-3-5-18-28-20)26-16-9-17-27(34-26)36(2)25-15-8-13-23(33-25)31-21-11-4-6-19-29-21/h3-19H,1-2H3,(H,28,30,32)(H,29,31,33)
InChIKeyNHEBJUCWIFJMRJ-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.68
Rot. Bonds8

About 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine

6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine (PubChem CID 102150046) has the molecular formula C27H25N9 and a molecular weight of 475.56 g/mol. Its IUPAC name is 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine
PubChem CID102150046
Molecular FormulaC27H25N9
Molecular Weight475.56 g/mol
Exact Mass475.22
IUPAC Name6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine
SMILESCN(c1cccc(Nc2ccccn2)n1)c1cccc(N(C)c2cccc(Nc3ccccn3)n2)n1
InChIInChI=1S/C27H25N9/c1-35(24-14-7-12-22(32-24)30-20-10-3-5-18-28-20)26-16-9-17-27(34-26)36(2)25-15-8-13-23(33-25)31-21-11-4-6-19-29-21/h3-19H,1-2H3,(H,28,30,32)(H,29,31,33)
InChIKeyNHEBJUCWIFJMRJ-UHFFFAOYSA-N
XLogP5.68
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine (CID 102150046) is 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine is CN(c1cccc(Nc2ccccn2)n1)c1cccc(N(C)c2cccc(Nc3ccccn3)n2)n1.
What is the InChIKey of 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine?
The InChIKey is NHEBJUCWIFJMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9/c1-35(24-14-7-12-22(32-24)30-20-10-3-5-18-28-20)26-16-9-17-27(34-26)36(2)25-15-8-13-23(33-25)31-21-11-4-6-19-29-21/h3-19H,1-2H3,(H,28,30,32)(H,29,31,33).
What are the key properties of 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine?
6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine has a molecular weight of 475.56 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-[6-[methyl-[6-(pyridin-2-ylamino)-2-pyridinyl]amino]-2-pyridinyl]-2-N-pyridin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 102150046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).