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

C27H23N5 — CID 71618395

IUPAC6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cncc(-c2cc3ccnc(NCc4ccc(-c5ccnc(C)c5)cc4)c3cn2)c1
InChIInChI=1S/C27H23N5/c1-18-11-24(16-28-14-18)26-13-23-8-10-30-27(25(23)17-31-26)32-15-20-3-5-21(6-4-20)22-7-9-29-19(2)12-22/h3-14,16-17H,15H2,1-2H3,(H,30,32)
InChIKeyIUNQSPKCARCQOE-UHFFFAOYSA-N
MW417.52 g/mol
LogP5.98
Rot. Bonds5

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

6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (PubChem CID 71618395) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is 6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
PubChem CID71618395
Molecular FormulaC27H23N5
Molecular Weight417.52 g/mol
Exact Mass417.20
IUPAC Name6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cncc(-c2cc3ccnc(NCc4ccc(-c5ccnc(C)c5)cc4)c3cn2)c1
InChIInChI=1S/C27H23N5/c1-18-11-24(16-28-14-18)26-13-23-8-10-30-27(25(23)17-31-26)32-15-20-3-5-21(6-4-20)22-7-9-29-19(2)12-22/h3-14,16-17H,15H2,1-2H3,(H,30,32)
InChIKeyIUNQSPKCARCQOE-UHFFFAOYSA-N
XLogP5.98
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (CID 71618395) is 6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is Cc1cncc(-c2cc3ccnc(NCc4ccc(-c5ccnc(C)c5)cc4)c3cn2)c1.
What is the InChIKey of 6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The InChIKey is IUNQSPKCARCQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5/c1-18-11-24(16-28-14-18)26-13-23-8-10-30-27(25(23)17-31-26)32-15-20-3-5-21(6-4-20)22-7-9-29-19(2)12-22/h3-14,16-17H,15H2,1-2H3,(H,30,32).
What are the key properties of 6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine has a molecular weight of 417.52 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 71618395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).