N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine

C27H24N6 — CID 86274260

IUPACN-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(C)c4)c3cn2)ccn1
InChIInChI=1S/C27H24N6/c1-17-10-20(14-32-26(17)23-6-8-29-19(3)12-23)15-33-27-24-16-31-25(13-21(24)4-9-30-27)22-5-7-28-18(2)11-22/h4-14,16H,15H2,1-3H3,(H,30,33)
InChIKeySJOSDZQVXLQTIC-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.69
Rot. Bonds5

About N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine

N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine (PubChem CID 86274260) has the molecular formula C27H24N6 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
PubChem CID86274260
Molecular FormulaC27H24N6
Molecular Weight432.53 g/mol
Exact Mass432.21
IUPAC NameN-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(C)c4)c3cn2)ccn1
InChIInChI=1S/C27H24N6/c1-17-10-20(14-32-26(17)23-6-8-29-19(3)12-23)15-33-27-24-16-31-25(13-21(24)4-9-30-27)22-5-7-28-18(2)11-22/h4-14,16H,15H2,1-3H3,(H,30,33)
InChIKeySJOSDZQVXLQTIC-UHFFFAOYSA-N
XLogP5.69
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?
The IUPAC name of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine (CID 86274260) is N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine.
What is the SMILES notation for N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?
The canonical SMILES for N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine is Cc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(C)c4)c3cn2)ccn1.
What is the InChIKey of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?
The InChIKey is SJOSDZQVXLQTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6/c1-17-10-20(14-32-26(17)23-6-8-29-19(3)12-23)15-33-27-24-16-31-25(13-21(24)4-9-30-27)22-5-7-28-18(2)11-22/h4-14,16H,15H2,1-3H3,(H,30,33).
What are the key properties of N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine has a molecular weight of 432.53 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 86274260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).