N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine

C23H28BN3O3 — CID 167511620

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine
SMILESCOc1ccc(CN(C)c2cc3ncc(B4OC(C)(C)C(C)(C)O4)cc3cn2)cc1
InChIInChI=1S/C23H28BN3O3/c1-22(2)23(3,4)30-24(29-22)18-11-17-13-26-21(12-20(17)25-14-18)27(5)15-16-7-9-19(28-6)10-8-16/h7-14H,15H2,1-6H3
InChIKeyAYWKDVJPSCUQLP-UHFFFAOYSA-N
MW405.31 g/mol
LogP3.57
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine

N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine (PubChem CID 167511620) has the molecular formula C23H28BN3O3 and a molecular weight of 405.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine
PubChem CID167511620
Molecular FormulaC23H28BN3O3
Molecular Weight405.31 g/mol
Exact Mass405.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine
SMILESCOc1ccc(CN(C)c2cc3ncc(B4OC(C)(C)C(C)(C)O4)cc3cn2)cc1
InChIInChI=1S/C23H28BN3O3/c1-22(2)23(3,4)30-24(29-22)18-11-17-13-26-21(12-20(17)25-14-18)27(5)15-16-7-9-19(28-6)10-8-16/h7-14H,15H2,1-6H3
InChIKeyAYWKDVJPSCUQLP-UHFFFAOYSA-N
XLogP3.57
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
CID 164934740
N-benzyl-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine
CID 145173153
3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
CID 167511897
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridine
CID 175653952
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 139548865
N-[8-[(4-methoxyphenyl)methyl-methylamino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178122398
5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 133424069
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 42614613
methyl 2-[ethyl(methyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
CID 99771145
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915
N-[(4-methoxyphenyl)methyl]-N-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazol-3-yl]methyl]methanesulfonamide
CID 57493901

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine (CID 167511620) is N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine is COc1ccc(CN(C)c2cc3ncc(B4OC(C)(C)C(C)(C)O4)cc3cn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine?
The InChIKey is AYWKDVJPSCUQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BN3O3/c1-22(2)23(3,4)30-24(29-22)18-11-17-13-26-21(12-20(17)25-14-18)27(5)15-16-7-9-19(28-6)10-8-16/h7-14H,15H2,1-6H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine?
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine has a molecular weight of 405.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine is sourced from PubChem (CID 167511620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).