6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine

C55H57BrN8O2 — CID 157425910

IUPAC6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine
SMILESCc1nc2ncc(Br)cc2cc1C(=O)NCc1ccc(C(C)(C)C)cc1.Cc1nc2ncc(N)cc2cc1C(=O)NCc1ccc(C(C)(C)C)cc1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22BrN3O.C21H24N4O.C13H11N/c2*1-13-18(10-15-9-17(22)12-23-19(15)25-13)20(26)24-11-14-5-7-16(8-6-14)21(2,3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-10,12H,11H2,1-4H3,(H,24,26);5-10,12H,11,22H2,1-4H3,(H,24,26);1-10,14H
InChIKeyBPYMIUKROVVBJQ-UHFFFAOYSA-N
MW942.02 g/mol
LogP11.78
Rot. Bonds8

About 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine

6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine (PubChem CID 157425910) has the molecular formula C55H57BrN8O2 and a molecular weight of 942.02 g/mol. Its IUPAC name is 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine.

Molecular Properties

Compound Name6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine
PubChem CID157425910
Molecular FormulaC55H57BrN8O2
Molecular Weight942.02 g/mol
Exact Mass940.38
IUPAC Name6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine
SMILESCc1nc2ncc(Br)cc2cc1C(=O)NCc1ccc(C(C)(C)C)cc1.Cc1nc2ncc(N)cc2cc1C(=O)NCc1ccc(C(C)(C)C)cc1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22BrN3O.C21H24N4O.C13H11N/c2*1-13-18(10-15-9-17(22)12-23-19(15)25-13)20(26)24-11-14-5-7-16(8-6-14)21(2,3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-10,12H,11H2,1-4H3,(H,24,26);5-10,12H,11,22H2,1-4H3,(H,24,26);1-10,14H
InChIKeyBPYMIUKROVVBJQ-UHFFFAOYSA-N
XLogP11.78
TPSA159.63 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.02
LogP ≤ 511.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine?
The IUPAC name of 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine (CID 157425910) is 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine.
What is the SMILES notation for 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine?
The canonical SMILES for 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine is Cc1nc2ncc(Br)cc2cc1C(=O)NCc1ccc(C(C)(C)C)cc1.Cc1nc2ncc(N)cc2cc1C(=O)NCc1ccc(C(C)(C)C)cc1.[H]N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine?
The InChIKey is BPYMIUKROVVBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O.C21H24N4O.C13H11N/c2*1-13-18(10-15-9-17(22)12-23-19(15)25-13)20(26)24-11-14-5-7-16(8-6-14)21(2,3)4;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-10,12H,11H2,1-4H3,(H,24,26);5-10,12H,11,22H2,1-4H3,(H,24,26);1-10,14H.
What are the key properties of 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine?
6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine has a molecular weight of 942.02 g/mol, XLogP of 11.78, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;6-bromo-N-[(4-tert-butylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;diphenylmethanimine is sourced from PubChem (CID 157425910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).