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

C27H23N5 — CID 71618458

IUPAC6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(-c5ccnc(C)c5)ncc34)cc2)ccn1
InChIInChI=1S/C27H23N5/c1-18-13-22(7-10-28-18)21-5-3-20(4-6-21)16-32-27-25-17-31-26(15-23(25)8-12-30-27)24-9-11-29-19(2)14-24/h3-15,17H,16H2,1-2H3,(H,30,32)
InChIKeyTZGYPTVQEYYJRT-UHFFFAOYSA-N
MW417.52 g/mol
LogP5.98
Rot. Bonds5

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

6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (PubChem CID 71618458) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is 6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
PubChem CID71618458
Molecular FormulaC27H23N5
Molecular Weight417.52 g/mol
Exact Mass417.20
IUPAC Name6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(-c5ccnc(C)c5)ncc34)cc2)ccn1
InChIInChI=1S/C27H23N5/c1-18-13-22(7-10-28-18)21-5-3-20(4-6-21)16-32-27-25-17-31-26(15-23(25)8-12-30-27)24-9-11-29-19(2)14-24/h3-15,17H,16H2,1-2H3,(H,30,32)
InChIKeyTZGYPTVQEYYJRT-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-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (CID 71618458) is 6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is Cc1cc(-c2ccc(CNc3nccc4cc(-c5ccnc(C)c5)ncc34)cc2)ccn1.
What is the InChIKey of 6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The InChIKey is TZGYPTVQEYYJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5/c1-18-13-22(7-10-28-18)21-5-3-20(4-6-21)16-32-27-25-17-31-26(15-23(25)8-12-30-27)24-9-11-29-19(2)14-24/h3-15,17H,16H2,1-2H3,(H,30,32).
What are the key properties of 6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
6-(2-methyl-4-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-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 71618458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).