7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine

C22H21N5 — CID 10309014

IUPAC7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine
SMILESCN(C)c1ccc(-c2cc3ncccc3c(NCc3cccnc3)n2)cc1
InChIInChI=1S/C22H21N5/c1-27(2)18-9-7-17(8-10-18)20-13-21-19(6-4-12-24-21)22(26-20)25-15-16-5-3-11-23-14-16/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyLVNVVXZYJCSUOM-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.37
Rot. Bonds5

About 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine

7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine (PubChem CID 10309014) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine
PubChem CID10309014
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine
SMILESCN(C)c1ccc(-c2cc3ncccc3c(NCc3cccnc3)n2)cc1
InChIInChI=1S/C22H21N5/c1-27(2)18-9-7-17(8-10-18)20-13-21-19(6-4-12-24-21)22(26-20)25-15-16-5-3-11-23-14-16/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyLVNVVXZYJCSUOM-UHFFFAOYSA-N
XLogP4.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine (CID 10309014) is 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine is CN(C)c1ccc(-c2cc3ncccc3c(NCc3cccnc3)n2)cc1.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine?
The InChIKey is LVNVVXZYJCSUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-27(2)18-9-7-17(8-10-18)20-13-21-19(6-4-12-24-21)22(26-20)25-15-16-5-3-11-23-14-16/h3-14H,15H2,1-2H3,(H,25,26).
What are the key properties of 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine?
7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine has a molecular weight of 355.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-amine is sourced from PubChem (CID 10309014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).