6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine

C20H17N5 — CID 71618805

IUPAC6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cc3ccnc(NCc4cccnc4)c3cn2)ccn1
InChIInChI=1S/C20H17N5/c1-14-9-17(5-7-22-14)19-10-16-4-8-23-20(18(16)13-24-19)25-12-15-3-2-6-21-11-15/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyJLRGGMUJUHOBRG-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.01
Rot. Bonds4

About 6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine

6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine (PubChem CID 71618805) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
PubChem CID71618805
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cc3ccnc(NCc4cccnc4)c3cn2)ccn1
InChIInChI=1S/C20H17N5/c1-14-9-17(5-7-22-14)19-10-16-4-8-23-20(18(16)13-24-19)25-12-15-3-2-6-21-11-15/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyJLRGGMUJUHOBRG-UHFFFAOYSA-N
XLogP4.01
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.01
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-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine (CID 71618805) is 6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine is Cc1cc(-c2cc3ccnc(NCc4cccnc4)c3cn2)ccn1.
What is the InChIKey of 6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine?
The InChIKey is JLRGGMUJUHOBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-14-9-17(5-7-22-14)19-10-16-4-8-23-20(18(16)13-24-19)25-12-15-3-2-6-21-11-15/h2-11,13H,12H2,1H3,(H,23,25).
What are the key properties of 6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine?
6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine has a molecular weight of 327.39 g/mol, XLogP of 4.01, 4 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-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 71618805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).