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

C24H25N5 — CID 10194027

IUPACN-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine
SMILESCN(C)c1ccc(-c2cc3ncccc3c(NCc3cccc(CN)c3)n2)cc1
InChIInChI=1S/C24H25N5/c1-29(2)20-10-8-19(9-11-20)22-14-23-21(7-4-12-26-23)24(28-22)27-16-18-6-3-5-17(13-18)15-25/h3-14H,15-16,25H2,1-2H3,(H,27,28)
InChIKeyPNVYQIRWJHGHDD-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.43
Rot. Bonds6

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

N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine (PubChem CID 10194027) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine
PubChem CID10194027
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine
SMILESCN(C)c1ccc(-c2cc3ncccc3c(NCc3cccc(CN)c3)n2)cc1
InChIInChI=1S/C24H25N5/c1-29(2)20-10-8-19(9-11-20)22-14-23-21(7-4-12-26-23)24(28-22)27-16-18-6-3-5-17(13-18)15-25/h3-14H,15-16,25H2,1-2H3,(H,27,28)
InChIKeyPNVYQIRWJHGHDD-UHFFFAOYSA-N
XLogP4.43
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine (CID 10194027) is N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine is CN(C)c1ccc(-c2cc3ncccc3c(NCc3cccc(CN)c3)n2)cc1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine?
The InChIKey is PNVYQIRWJHGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-29(2)20-10-8-19(9-11-20)22-14-23-21(7-4-12-26-23)24(28-22)27-16-18-6-3-5-17(13-18)15-25/h3-14H,15-16,25H2,1-2H3,(H,27,28).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine?
N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine has a molecular weight of 383.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-amine is sourced from PubChem (CID 10194027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).